Geometry & MOs

Info

ID:	220497
PubChem CID:	85195597
Reduced:	N2O5C9H14 (1)
Stoich.:	A2B5C9D14 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-213.27
Dipole, Da:	6.4
IP(EA), eV:	-9.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-methylidene-2-oxo-4,6,8a,8b-tetrahydro-3aH-cyclopenta[g][1]benzofuran-5-carbaldehyde

Drug info:

PubChemData

Smile

CC=C(C(=O)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations