Geometry & MOs

Info

ID:	449506
PubChem CID:	135299152
Reduced:	N2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	384.266445
ΔH_f, kcal/mol:	-116.12
Dipole, Da:	1.35
IP(EA), eV:	-8.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3aR,9aS,9bS)-1-[(2,3-dimethyl-4-methylidenecyclopent-2-en-1-yl)oxymethylidene]-3a,6,6,9a-tetramethyl-5,5a,7,8,9,9b-hexahydro-4H-benzo[e][1]benzofuran-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N/N=C/CCO)C(=O)O

DOS

IR

Vibrations