Geometry & MOs

Info

ID:	335357
PubChem CID:	127254219
Reduced:	N2O3C24H36 (1)
Stoich.:	A2B3C24D36 (1)
Weight, g/mol:	538.340673
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	6.83
IP(EA), eV:	-8.61(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2CC(=O)N4CCCCC4)O

DOS

IR

Vibrations