Geometry & MOs

Info

ID:	256977
PubChem CID:	103142858
Reduced:	FOCl2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	295.118399
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	3.16
IP(EA), eV:	-9.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-(trifluoromethyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CCl)(CCl)C2=CC=CC=C2F

DOS

IR

Vibrations