Geometry & MOs

Info

ID:	185788
PubChem CID:	77347673
Reduced:	F3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	442.155593
ΔH_f, kcal/mol:	-205.29
Dipole, Da:	4.58
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2,3-difluoro-4-(5-prop-1-enyloxan-2-yl)phenyl]phenyl]-2,3-difluorophenol

Drug info:

PubChemData

Smile

CCC(C1CCC(OC1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)OC=CC)F)F)F)O

DOS

IR

Vibrations