Geometry & MOs

Info

ID:	335371
PubChem CID:	127254233
Reduced:	NO6C30H41 (1)
Stoich.:	AB6C30D41 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-240.32
Dipole, Da:	0.33
IP(EA), eV:	-8.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C4=CC(=C(C(=C4)OCC)OCC)OCC)O

DOS

IR

Vibrations