Geometry & MOs

Info

ID:	180715
PubChem CID:	76674033
Reduced:	F2O3C25H36 (1)
Stoich.:	A2B3C25D36 (1)
Weight, g/mol:	394.231951
ΔH_f, kcal/mol:	-226.35
Dipole, Da:	4.05
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-2-prop-1-enyloxane

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C3CCC(CO3)C=CC)F)F

DOS

IR

Vibrations