Geometry & MOs

Info

ID:	376362
PubChem CID:	134222373
Reduced:	O4F6C27H30 (1)
Stoich.:	A4B6C27D30 (1)
Weight, g/mol:	360.1701
ΔH_f, kcal/mol:	-459.13
Dipole, Da:	2.94
IP(EA), eV:	-9.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-2-(fluoromethoxy)-5-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2CCC(CC2)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)F)(F)F

DOS

IR

Vibrations