Geometry & MOs

Info

ID:	159990
PubChem CID:	57304336
Reduced:	Cl2O2N3H7C10 (1)
Stoich.:	A2B2C3D7E10 (1)
Weight, g/mol:	279.085521
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	6.26
IP(EA), eV:	-8.85(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-nitroanilino)-4-oxobutan-2-ylidene]amino]acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C(OC=C21)C(=O)N=C(N)N)Cl)Cl

DOS

IR

Vibrations