Geometry & MOs

Info

ID:	403216
PubChem CID:	135059221
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-132.88
Dipole, Da:	3.89
IP(EA), eV:	-9.39(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(1-oxido-4-phenylpyridin-1-ium-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC=C1OC)/C=C/C(=O)OC

DOS

IR

Vibrations