Geometry & MOs

Info

ID:	26827
PubChem CID:	798967
Reduced:	ClNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	302.123069
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	6.32
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=CC(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations