Geometry & MOs

Info

ID:	438850
PubChem CID:	135228608
Reduced:	NC23H29 (1)
Stoich.:	AB23C29 (1)
Weight, g/mol:	505.210052
ΔH_f, kcal/mol:	52.95
Dipole, Da:	1.83
IP(EA), eV:	-8.7(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=C(CCC=C1)C(C)CC(=C)C2=CC=CC=C2C

DOS

IR

Vibrations