Geometry & MOs

Info

ID:	374438
PubChem CID:	131329468
Reduced:	INO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	233.046823
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	3.45
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2-methylanilino)-2H-triazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)OC)I)C(=O)N

DOS

IR

Vibrations