Geometry & MOs

Info

ID:

319024

PubChem CID:

126654193

Reduced:

O2N5C38H45 (1)

Stoich.:

A2B5C38D45 (1)

Weight, g/mol:

444.252526

ΔHf, kcal/mol:

-12.72

Dipole, Da:

1.98

IP(EA), eV:

 -8.29(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(4-methylphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCC[C@@H]3OCC4=CC=C(C=C4)C5=CC=C(C=C5)CN6CCN(CC6)C)C

DOS

IR

Vibrations