Geometry & MOs

Info

ID:	147300
PubChem CID:	53786955
Reduced:	N2O4C33H48 (1)
Stoich.:	A2B4C33D48 (1)
Weight, g/mol:	759.400727
ΔH_f, kcal/mol:	-130.53
Dipole, Da:	5.93
IP(EA), eV:	-8.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[1-[2-[3-(4-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidin-4-yl]carbamoyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCC1=NN=C(O1)C2(CC2)C(C=C[C@@H](C)[C@H]3CC[C@@H]4[C@@]3(CCCC4=CC=C5CC(CC(C5=C)O)O)C)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCC1=NN=C(O1)C2(CC2)C(C=C[C@@H](C)[C@H]3CC[C@@H]4[C@@]3(CCCC4=CC=C5CC(CC(C5=C)O)O)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):