Geometry & MOs

Info

ID:	40449
PubChem CID:	8144148
Reduced:	FON2C20H27 (1)
Stoich.:	ABC2D20E27 (1)
Weight, g/mol:	365.167417
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	1.38
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCC/C(=N\NC(=O)C1[C@H]2[C@@H]1CCCCCC2)/C3=CC=C(C=C3)F

DOS

IR

Vibrations