Geometry & MOs

Info

ID:	297430
PubChem CID:	117617277
Reduced:	F3O3C31H41 (1)
Stoich.:	A3B3C31D41 (1)
Weight, g/mol:	526.17542
ΔH_f, kcal/mol:	-280.24
Dipole, Da:	2.13
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-(4-methylcyclohexyl)methoxy]-4-[3-(4-ethoxy-2,3-difluorophenoxy)-2,2-difluoropropyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C=C1)OCC(CC2=CC(=C(C=C2)C3CCC(CC3)C4CCC(OC4)C)F)F)F

DOS

IR

Vibrations