Geometry & MOs

Info

ID:	309153
PubChem CID:	126538954
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	3.25
IP(EA), eV:	-8.06(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,4aS,7aS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1CCC2C3CCC[C@@]24C1OC5=C(C=CC(=C45)C3)OC

DOS

IR

Vibrations