Geometry & MOs

Info

ID:	376748
PubChem CID:	134222774
Reduced:	O3F9H19C22 (1)
Stoich.:	A3B9C19D22 (1)
Weight, g/mol:	446.168049
ΔH_f, kcal/mol:	-548.97
Dipole, Da:	10.07
IP(EA), eV:	-9.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations