Geometry & MOs

Info

ID:	335533
PubChem CID:	127254395
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	5.65
IP(EA), eV:	-8.21(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-5-methoxypyran-4-one

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C2=CC=CC=C21)CCNC(=O)COC3=CC=CC4=C3C=CN4CCOC

DOS

IR

Vibrations