Geometry & MOs

Info

ID:	257066
PubChem CID:	103143504
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	3.19
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol

Drug info:

PubChemData

Smile

C1CCC(=CC1)CC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations