Geometry & MOs

Info

ID:	120673
PubChem CID:	50739976
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-34.23
Dipole, Da:	4.76
IP(EA), eV:	-9.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations