Geometry & MOs

Info

ID:	69908
PubChem CID:	47205736
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	3.53
IP(EA), eV:	-9.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-imidazol-1-ylpropan-2-yl)-1-oxidopyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)NC(=O)C2=C[N+](=CC=C2)[O-]

DOS

IR

Vibrations