Geometry & MOs

Info

ID:	335289
PubChem CID:	127254150
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-106.07
Dipole, Da:	6.08
IP(EA), eV:	-8.7(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations