Geometry & MOs

Info

ID:	446701
PubChem CID:	135277014
Reduced:	OF2N4C28H36 (1)
Stoich.:	AB2C4D28E36 (1)
Weight, g/mol:	599.258261
ΔH_f, kcal/mol:	-71.41
Dipole, Da:	2.39
IP(EA), eV:	-8.25(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2,4-difluoro-3-[(1R,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethyl]-N-(3-fluoropropyl)carbamate

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

C[C@@H]1CC2=C([C@H](N1CC3(COC3)F)C4=CC(=CC=C4)N(C)CCNCCCF)NC5=CC=CC=C25

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

C[C@@H]1CC2=C([C@H](N1CC3(COC3)F)C4=CC(=CC=C4)N(C)CCNCCCF)NC5=CC=CC=C25

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):