Geometry & MOs

Info

ID:	376724
PubChem CID:	134222749
Reduced:	O2F8H16C25 (1)
Stoich.:	A2B8C16D25 (1)
Weight, g/mol:	544.12847
ΔH_f, kcal/mol:	-407.1
Dipole, Da:	5.9
IP(EA), eV:	-9.71(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,4-dioxaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CC(=O)CCC1C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F)(F)F)F

DOS

IR

Vibrations