Geometry & MOs

Info

ID:	17691
PubChem CID:	512219
Reduced:	O2N4C18H21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	325.166451
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.843897
Charge, e:	1

Chem-info

IUPAC name:

N-[[3-(propoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

DOS

IR

Vibrations