Geometry & MOs

Info

ID:	335325
PubChem CID:	127254187
Reduced:	NO3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-113.17
Dipole, Da:	2.03
IP(EA), eV:	-8.79(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)CCC4=CC=CC=C4)O

DOS

IR

Vibrations