Geometry & MOs

Info

ID:	419620
PubChem CID:	135108555
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	18.54
Dipole, Da:	6.62
IP(EA), eV:	-8.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C)CNC2=N/C(=C/3\C=CC=CC3=O)/NC(=C2)C

DOS

IR

Vibrations