Geometry & MOs

Info

ID:	309151
PubChem CID:	126538904
Reduced:	OPC4H9 (1)
Stoich.:	ABC4D9 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	1.03
IP(EA), eV:	-8.93(2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,7aS)-3-(cyclobutanecarbonyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

CP1CCOC1

DOS

IR

Vibrations