Geometry & MOs

Info

ID:	185749
PubChem CID:	77343699
Reduced:	F3H25C28 (1)
Stoich.:	A3B25C28 (1)
Weight, g/mol:	464.2327
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	1.41
IP(EA), eV:	-9.05(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-3-fluorophenyl]-5-prop-1-enyloxane

Drug info:

PubChemData

Smile

CC=CC1CCC(=CC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)C)F)F)F

DOS

IR

Vibrations