Geometry & MOs

Info

ID:	133812
PubChem CID:	51593138
Reduced:	OSN2C17H29 (1)
Stoich.:	ABC2D17E29 (1)
Weight, g/mol:	349.179514
ΔH_f, kcal/mol:	-16.84
Dipole, Da:	1.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753639
Charge, e:	1

Chem-info

IUPAC name:

3-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)C2CCN(CC2)C[C@H](C3=CC=CS3)O

DOS

IR

Vibrations