Geometry & MOs

Info

ID:	408471
PubChem CID:	135081237
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	324.172545
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	2.49
IP(EA), eV:	-9.42(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-yl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H](CC(=O)N)O

DOS

IR

Vibrations