Geometry & MOs

Info

ID:	419684
PubChem CID:	135108699
Reduced:	N2O6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	-191.69
Dipole, Da:	5.14
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1C(=O)CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations