Geometry & MOs

Info

ID:	40568
PubChem CID:	8144346
Reduced:	OS2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	380.167083
ΔH_f, kcal/mol:	31.43
Dipole, Da:	5.57
IP(EA), eV:	-8.27(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)CN3CCOCC3)C

DOS

IR

Vibrations