Geometry & MOs

Info

ID:	20984
PubChem CID:	586603
Reduced:	ON2C25H28 (1)
Stoich.:	AB2C25D28 (1)
Weight, g/mol:	372.220164
ΔH_f, kcal/mol:	14.95
Dipole, Da:	5.38
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(1-phenylisoquinolin-4-yl)ethanol

Drug info:

PubChemData

Smile

C1CC2CCC1CN(C2)CC(C3=CN=C(C4=CC=CC=C43)C5=CC=CC=C5)O

DOS

IR

Vibrations