Geometry & MOs

Info

ID:	31649
PubChem CID:	855979
Reduced:	O3N6H12C14 (1)
Stoich.:	A3B6C12D14 (1)
Weight, g/mol:	313.073038
ΔH_f, kcal/mol:	48.38
Dipole, Da:	2.88
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=O)C3=CC=CO3

DOS

IR

Vibrations