Geometry & MOs

Info

ID:	376749
PubChem CID:	134222775
Reduced:	O2F6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	462.142977
ΔH_f, kcal/mol:	-360.17
Dipole, Da:	8.33
IP(EA), eV:	-9.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[4-(2-ethoxyethyl)cyclohexen-1-yl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

COCC1CCC(CC1)CCC2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)F)F)(F)F)F

DOS

IR

Vibrations