Geometry & MOs

Info

ID:	148418
PubChem CID:	53788080
Reduced:	C31H46 (1)
Stoich.:	A31B46 (1)
Weight, g/mol:	444.239535
ΔH_f, kcal/mol:	1.79
Dipole, Da:	0.4
IP(EA), eV:	-8.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]phenyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C=CC#CC2=CC=C(C=C2)C3CCC(CC3)CCC

DOS

IR

Vibrations