Geometry & MOs

Info

ID:	237074
PubChem CID:	92717158
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	1.73
Dipole, Da:	3.38
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-propan-2-yl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H](CC1=O)C2=NC3=CC=CC=C3N2CC=C

DOS

IR

Vibrations