Geometry & MOs

Info

ID:	339523
PubChem CID:	127261513
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	255.089543
ΔH_f, kcal/mol:	-94.01
Dipole, Da:	4.62
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C/C(=C/NCC(=O)O)/C(=O)C=C1

DOS

IR

Vibrations