Geometry & MOs

Info

ID:	185789
PubChem CID:	77347674
Reduced:	OF2H11C13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	454.175579
ΔH_f, kcal/mol:	-199.6
Dipole, Da:	1.8
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(4-but-2-enoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]oxan-3-ol

Drug info:

PubChemData

Smile

CC=CC1CCC(OC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)O)F)F)F)F

DOS

IR

Vibrations