Geometry & MOs

Info

ID:	40734
PubChem CID:	8144608
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-112.18
Dipole, Da:	3.26
IP(EA), eV:	-8.97(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-2-(morpholin-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC(C)C[C@]1(C(=O)N(C(=O)N1)CN2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations