Geometry & MOs

Info

ID:	18508
PubChem CID:	541972
Reduced:	O3C4H4N4 (1)
Stoich.:	A3B4C4D4 (1)
Weight, g/mol:	156.02834
ΔH_f, kcal/mol:	-4.27
Dipole, Da:	1.36
IP(EA), eV:	-11.24(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=NNC(=C1[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations