Geometry & MOs

Info

ID:	185750
PubChem CID:	77344027
Reduced:	OF3C30H31 (1)
Stoich.:	AB3C30D31 (1)
Weight, g/mol:	438.180665
ΔH_f, kcal/mol:	-138.05
Dipole, Da:	2.46
IP(EA), eV:	-9.21(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2,3-difluoro-4-prop-1-enoxyphenyl)phenyl]-2-fluorophenyl]-5-methyloxane

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4CCC(CO4)C=CC)F)F)F

DOS

IR

Vibrations