Geometry & MOs

Info

ID:	221944
PubChem CID:	85292925
Reduced:	NO4C25H29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	408.07976
ΔH_f, kcal/mol:	-151.55
Dipole, Da:	5.41
IP(EA), eV:	-9.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-3a-(iodomethyl)-6,8b-dimethyl-1,2,3,4a,5,6,7,8-octahydrocyclopenta[b][1]benzofuran-8a-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC2(C1C3=CC=CC=C3)CC(C(=O)O2)C4=CC=CC=C4

DOS

IR

Vibrations