Geometry & MOs

Info

ID:	335259
PubChem CID:	127254120
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-156.37
Dipole, Da:	4.52
IP(EA), eV:	-8.46(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations