Geometry & MOs

Info

ID:	139090
PubChem CID:	52470584
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	3.18
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC=C1[C@@]2(CC[C@H]3[C@@H]2CN(C3)CC4=CC(=CC=C4)OCC#C)O)OCC

DOS

IR

Vibrations