Geometry & MOs

Info

ID:	52054
PubChem CID:	12014830
Reduced:	O4H7N7C9 (1)
Stoich.:	A4B7C7D9 (1)
Weight, g/mol:	277.055952
ΔH_f, kcal/mol:	28.96
Dipole, Da:	2.04
IP(EA), eV:	-10.3(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-(2H-tetrazol-5-ylcarbamoyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=O)NC2=NNN=N2

DOS

IR

Vibrations