Geometry & MOs

Info

ID:	237086
PubChem CID:	92717194
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	19.79
Dipole, Da:	4.54
IP(EA), eV:	-9.01(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1[C@H]3CC(=O)N(C3)CC4=CC=CS4

DOS

IR

Vibrations