Geometry & MOs

Info

ID:	335358
PubChem CID:	127254220
Reduced:	N2O5C32H46 (1)
Stoich.:	A2B5C32D46 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-204.03
Dipole, Da:	3.31
IP(EA), eV:	-7.88(0.18)
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]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations