Geometry & MOs

Info

ID:	192466
PubChem CID:	78272408
Reduced:	FO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	357.186141
ΔH_f, kcal/mol:	-192.23
Dipole, Da:	3.57
IP(EA), eV:	-8.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-phenyl-2-[(4-piperidin-2-ylidenepiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1C(CCC2C1OC=C(C2=O)OC3=CC=CC=C3F)OCC(=O)OC

DOS

IR

Vibrations