Geometry & MOs

Info

ID:	335224
PubChem CID:	127254085
Reduced:	ClNOC12H22 (1)
Stoich.:	ABCD12E22 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	6.46
IP(EA), eV:	-9.63(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCC3CCC2[C@@H]3O.Cl

DOS

IR

Vibrations