Geometry & MOs

Info

ID:	376777
PubChem CID:	134222803
Reduced:	O2F7H25C30 (1)
Stoich.:	A2B7C25D30 (1)
Weight, g/mol:	544.164855
ΔH_f, kcal/mol:	-321.93
Dipole, Da:	10.91
IP(EA), eV:	-9.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)-5-[[4-[4-(ethoxymethyl)cyclohexyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations