Geometry & MOs

Info

ID:	83691
PubChem CID:	49860198
Reduced:	ClNO3C23H32 (1)
Stoich.:	ABC3D23E32 (1)
Weight, g/mol:	461.269672
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	5.23
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-decoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCOC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1.Cl

DOS

IR

Vibrations