Geometry & MOs

Info

ID:	256199
PubChem CID:	103137658
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-132.36
Dipole, Da:	2.13
IP(EA), eV:	-8.81(2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCN(CC1CCC(O1)C)CC(C)(C)O

DOS

IR

Vibrations