Geometry & MOs

Info

ID:	196906
PubChem CID:	78894254
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	352.031623
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	3.49
IP(EA), eV:	-8.96(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CC(=O)N(CC(C)C)C2CC2

DOS

IR

Vibrations