Geometry & MOs

Info

ID:	296724
PubChem CID:	117590399
Reduced:	N5C19H19 (1)
Stoich.:	A5B19C19 (1)
Weight, g/mol:	337.109423
ΔH_f, kcal/mol:	132.17
Dipole, Da:	5.3
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[benzyl(ethyl)amino]-2-(4-chlorophenyl)triazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2N=C(C(=N2)N(C)CC3=CC=CC=C3)C#N)C

DOS

IR

Vibrations