Geometry & MOs

Info

ID:	256481
PubChem CID:	103139515
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	38.8
Dipole, Da:	6.13
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-isoquinolin-8-ylpropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C=C(N=N1)C)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations