Geometry & MOs

Info

ID:	20933
PubChem CID:	586321
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	3.1
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-4-oxo-3-phenylbut-2-en-2-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC(=C(C1=CC=CC=C1)C(=O)N)NC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations