Geometry & MOs

Info

ID:	14033
PubChem CID:	401916
Reduced:	FNOC14H16 (2)
Stoich.:	ABCD14E16 (2)
Weight, g/mol:	466.243185
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	2.37
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(C2=CC=CC=C2)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations