Geometry & MOs

Info

ID:	151014
PubChem CID:	53790711
Reduced:	NO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	227.091943
ΔH_f, kcal/mol:	-143.08
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyridin-2-yl)imino-2-(2H-tetrazol-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations