Geometry & MOs

Info

ID:	310314
PubChem CID:	126578523
Reduced:	NO2C31H51 (1)
Stoich.:	AB2C31D51 (1)
Weight, g/mol:	406.284736
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	2.93
IP(EA), eV:	-8.71(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trifluoro-5-[4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)CC(COCCCCCCCCCCCCCN1C=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations