Geometry & MOs

Info

ID:	146511
PubChem CID:	53699274
Reduced:	FO2N3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	420.376744
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	4.9
IP(EA), eV:	-9.09(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluorohept-3-enyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)F)C3=NC(=CN3C(=O)N2)O

DOS

IR

Vibrations