Geometry & MOs

Info

ID:	296723
PubChem CID:	117590394
Reduced:	O2N6H14C17 (1)
Stoich.:	A2B6C14D17 (1)
Weight, g/mol:	317.164046
ΔH_f, kcal/mol:	153.23
Dipole, Da:	8.27
IP(EA), eV:	-9.07(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[benzyl(methyl)amino]-2-(3,5-dimethylphenyl)triazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C2=NN(N=C2C#N)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations