Geometry & MOs

Info

ID:	396798
PubChem CID:	135029236
Reduced:	NOC29H31 (1)
Stoich.:	ABC29D31 (1)
Weight, g/mol:	289.10605
ΔH_f, kcal/mol:	11.77
Dipole, Da:	1.51
IP(EA), eV:	-8.31(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 10-deuterio-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@H]([C@@H](OC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)C)C5=CC=CC=C5

DOS

IR

Vibrations