Geometry & MOs

Info

ID:	196086
PubChem CID:	78777468
Reduced:	ClFN2O2H16C17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	3.09
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)O)C(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations