Geometry & MOs

Info

ID:	335304
PubChem CID:	127254165
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-142.56
Dipole, Da:	2.25
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations