Geometry & MOs

Info

ID:	329846
PubChem CID:	127246713
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	9.14
Dipole, Da:	5.65
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzimidazol-5-yl-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CC3=CSC=C3

DOS

IR

Vibrations