Geometry & MOs

Info

ID:	30423
PubChem CID:	841309
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	271.108267
ΔH_f, kcal/mol:	-28.4
Dipole, Da:	5.26
IP(EA), eV:	-9.24(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H](C)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations