Geometry & MOs

Info

ID:	18472
PubChem CID:	541460
Reduced:	N5O5H13C17 (1)
Stoich.:	A5B5C13D17 (1)
Weight, g/mol:	367.091669
ΔH_f, kcal/mol:	10.65
Dipole, Da:	7.79
IP(EA), eV:	-9.15(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations