Geometry & MOs

Info

ID:	246570
PubChem CID:	103061305
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-151.46
Dipole, Da:	1.42
IP(EA), eV:	-8.7(2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxan-4-ol

Drug info:

PubChemData

Smile

CCC1COCCN1CC2COCCC2O

DOS

IR

Vibrations