Geometry & MOs

Info

ID:	149779
PubChem CID:	53789455
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	3.19
IP(EA), eV:	-9.55(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3aS,3bS,9bS,11aS)-11a-methyl-2,3,3a,3b,4,9b,10,11-octahydro-1H-indeno[4,5-c]chromene-1,2,7-triol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)NC=O)C(=O)CCCCCCCCC=C)C

DOS

IR

Vibrations