Geometry & MOs

Info

ID:	378354
PubChem CID:	134224432
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	480.226313
ΔH_f, kcal/mol:	6.24
Dipole, Da:	2.13
IP(EA), eV:	-9.23(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-1,1,2,3,4,4,4-heptafluorobut-2-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCC(C)(C)/C(=C\C)/CN=C

DOS

IR

Vibrations