Geometry & MOs

Info

ID:	19215
PubChem CID:	558222
Reduced:	N4O5H10C12 (1)
Stoich.:	A4B5C10D12 (1)
Weight, g/mol:	290.065119
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	7.4
IP(EA), eV:	-9.93(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-4-nitropyrazole-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations