Geometry & MOs

Info

ID:	373793
PubChem CID:	131320112
Reduced:	ClNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	198.054161
ΔH_f, kcal/mol:	9.02
Dipole, Da:	4.12
IP(EA), eV:	-8.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,4-triazol-1-yl)benzoyl cyanide

Drug info:

PubChemData

Smile

CSC1=C(NC=C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations