Geometry & MOs

Info

ID:	29135
PubChem CID:	831817
Reduced:	ClNOSH10C15 (1)
Stoich.:	ABCDE10F15 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	29.29
Dipole, Da:	3.07
IP(EA), eV:	-8.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations