Geometry & MOs

Info

ID:	256706
PubChem CID:	103140856
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	283.193614
ΔH_f, kcal/mol:	-27.58
Dipole, Da:	3.68
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-isoquinolin-8-ylpropan-2-yl)-5-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CCC1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations