Geometry & MOs

Info

ID:	83690
PubChem CID:	49860174
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	405.207072
ΔH_f, kcal/mol:	38.66
Dipole, Da:	9.98
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCOC2=CC=CC=C2/C=C(\C#N)/C3=NOC4=CC=CC=C43.Cl

DOS

IR

Vibrations