Geometry & MOs

Info

ID:	256709
PubChem CID:	103140875
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	3.28
IP(EA), eV:	-9.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-3-methylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1(CC(C=C(C1)C2=CC=CC3=C2C=NC=C3)O)C

DOS

IR

Vibrations