Geometry & MOs

Info

ID:	436021
PubChem CID:	135193392
Reduced:	OF2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	392.231557
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	1.06
IP(EA), eV:	-8.89(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluoro-4-pentylbenzene

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=C(C(=C(C=C3)OC)F)F

DOS

IR

Vibrations