Geometry & MOs

Info

ID:	184563
PubChem CID:	77175323
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	4.0
IP(EA), eV:	-9.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-hydroxy-5a,9-dimethyl-3-methylidene-5,6,7,9b-tetrahydro-4H-benzo[g][1]benzofuran-2,8-dione

Drug info:

PubChemData

Smile

CC(C)(C)N(C(CO)C(=O)NCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations