Geometry & MOs

Info

ID:	438720
PubChem CID:	135228472
Reduced:	NC29H41 (1)
Stoich.:	AB29C41 (1)
Weight, g/mol:	490.162768
ΔH_f, kcal/mol:	28.78
Dipole, Da:	2.54
IP(EA), eV:	-8.2(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3aR)-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CCC1)N(CC2=CC(=C(C=C2)C)C)C(=C)C(CC(C)CC=C)CC(=C)C

DOS

IR

Vibrations