Geometry & MOs

Info

ID:	52053
PubChem CID:	12014829
Reduced:	ClO2N6H7C9 (1)
Stoich.:	AB2C6D7E9 (1)
Weight, g/mol:	277.055952
ΔH_f, kcal/mol:	21.73
Dipole, Da:	3.62
IP(EA), eV:	-9.95(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC(=O)NC2=NNN=N2)Cl

DOS

IR

Vibrations