Geometry & MOs

Info

ID:	64735
PubChem CID:	29203927
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	390.174356
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	2.25
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCN3C(=O)COC4=CC=CC=C43

DOS

IR

Vibrations