Geometry & MOs

Info

ID:	41676
PubChem CID:	8146773
Reduced:	OSN4C22H28 (1)
Stoich.:	ABC4D22E28 (1)
Weight, g/mol:	372.117546
ΔH_f, kcal/mol:	42.59
Dipole, Da:	5.54
IP(EA), eV:	-8.16(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl(ethyl)amino]methyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C(C)C

DOS

IR

Vibrations