Geometry & MOs

Info

ID:	14528
PubChem CID:	413659
Reduced:	N4O5H12C16 (1)
Stoich.:	A4B5C12D16 (1)
Weight, g/mol:	340.080769
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	5.23
IP(EA), eV:	-9.57(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-nitrophenyl)diazenyl]anilino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C=CC(=O)O)N=NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations