Geometry & MOs

Info

ID:	335331
PubChem CID:	127254193
Reduced:	NO6C28H35 (1)
Stoich.:	AB6C28D35 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-204.46
Dipole, Da:	2.63
IP(EA), eV:	-8.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations