Geometry & MOs

Info

ID:	187321
PubChem CID:	77558266
Reduced:	O3C25H38 (1)
Stoich.:	A3B25C38 (1)
Weight, g/mol:	509.14269
ΔH_f, kcal/mol:	-175.35
Dipole, Da:	3.95
IP(EA), eV:	-9.7(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentylmethyl)-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-4a,9-diol;iodide

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC(=O)C(C)(C)C=C

DOS

IR

Vibrations