Geometry & MOs

Info

ID:	62787
PubChem CID:	26736776
Reduced:	ClON4H25C26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	413.096476
ΔH_f, kcal/mol:	51.53
Dipole, Da:	1.02
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5

DOS

IR

Vibrations