Geometry & MOs

Info

ID:	376788
PubChem CID:	134222814
Reduced:	O2F5C27H31 (1)
Stoich.:	A2B5C27D31 (1)
Weight, g/mol:	544.164855
ΔH_f, kcal/mol:	-320.66
Dipole, Da:	7.41
IP(EA), eV:	-9.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-4-[[4-[4-(ethoxymethyl)cyclohexyl]-2,6-difluorophenyl]-difluoromethoxy]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

COCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F

DOS

IR

Vibrations