Geometry & MOs

Info

ID:	376397
PubChem CID:	134222409
Reduced:	O4F7C27H29 (1)
Stoich.:	A4B7C27D29 (1)
Weight, g/mol:	512.234986
ΔH_f, kcal/mol:	-499.69
Dipole, Da:	6.67
IP(EA), eV:	-9.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3-fluorophenyl]-5-(4-propylcyclohexyl)oxane

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations