Geometry & MOs

Info

ID:	397215
PubChem CID:	135029899
Reduced:	ClO7C28H31 (1)
Stoich.:	AB7C28D31 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-260.69
Dipole, Da:	3.91
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10bS)-1,2,3,4,4a,10b-hexahydrobenzo[c]chromen-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@](C)(CC1=C(C(=C(C=C1OCC2=CC=CC=C2)Cl)OC)C3=C(C=CC=C3OC)O)O

DOS

IR

Vibrations