Geometry & MOs

Info

ID:	257065
PubChem CID:	103143497
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	5.41
IP(EA), eV:	-9.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)-1-isoquinolin-8-ylethanol

Drug info:

PubChemData

Smile

C1COCC1CC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations