Geometry & MOs

Info

ID:	446710
PubChem CID:	135277082
Reduced:	F3N3O3C29H36 (1)
Stoich.:	A3B3C3D29E36 (1)
Weight, g/mol:	491.255975
ΔH_f, kcal/mol:	-224.31
Dipole, Da:	3.31
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2,4-dimethyl-3-[(1R,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethyl]-3-fluoropropan-1-amine

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](N1C[C@H](C)C(=O)O)C3=C(C=CC(=C3C)OCCN(C)CCCF)F)NC4=C2C=C(C=C4)F

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](N1C[C@H](C)C(=O)O)C3=C(C=CC(=C3C)OCCN(C)CCCF)F)NC4=C2C=C(C=C4)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):