Geometry & MOs

Info

ID:	207277
PubChem CID:	80369245
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	270.097757
ΔH_f, kcal/mol:	62.08
Dipole, Da:	4.04
IP(EA), eV:	-9.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-2H-tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)C(=O)C2=NNN=N2

DOS

IR

Vibrations