Geometry & MOs

Info

ID:	186981
PubChem CID:	77510552
Reduced:	ClON3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	445.225308
ΔH_f, kcal/mol:	-11.45
Dipole, Da:	5.42
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethyl)-9-hydroxy-11-[(2-methylphenyl)methoxy]-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

CCN1C(NN2C(=CC(=C2C1=O)C(C)C)C)C3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations