Geometry & MOs

Info

ID:	312762
PubChem CID:	126608380
Reduced:	ON7H15C19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	402.253436
ΔH_f, kcal/mol:	104.72
Dipole, Da:	4.12
IP(EA), eV:	-8.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-7-methyl-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]naphthalene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)C(=O)C3=C(N(N=C3)C4=CC5=C(C=C4)N=C(N5)N)N

DOS

IR

Vibrations