Geometry & MOs

Info

ID:	339525
PubChem CID:	127261515
Reduced:	ClNO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	289.050571
ΔH_f, kcal/mol:	-94.42
Dipole, Da:	2.61
IP(EA), eV:	-8.98(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=O)/C(=C\NCC(=O)O)/C=C1Cl

DOS

IR

Vibrations