Geometry & MOs

Info

ID:	379338
PubChem CID:	134358630
Reduced:	OF2C29H38 (1)
Stoich.:	AB2C29D38 (1)
Weight, g/mol:	454.304722
ΔH_f, kcal/mol:	-127.85
Dipole, Da:	1.51
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enoxy-2,3-difluoro-4-[4-(4-octylcyclohexyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCC=C)F)F

DOS

IR

Vibrations