Geometry & MOs

Info

ID:	196085
PubChem CID:	78777467
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	334.088434
ΔH_f, kcal/mol:	-5.97
Dipole, Da:	3.37
IP(EA), eV:	-8.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluorophenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)O)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

DOS

IR

Vibrations