Geometry & MOs

Info

ID:	243887
PubChem CID:	99300569
Reduced:	ClOSN2H17C19 (1)
Stoich.:	ABCD2E17F19 (1)
Weight, g/mol:	358.144806
ΔH_f, kcal/mol:	31.73
Dipole, Da:	4.6
IP(EA), eV:	-9.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)C2=CN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations