Geometry & MOs

Info

ID:	85002
PubChem CID:	49871278
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-228.77
Dipole, Da:	4.05
IP(EA), eV:	-8.58(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dimethylspiro[5.5]undeca-3,9-dien-5-one

Drug info:

PubChemData

Smile

C[C@](CSC(C)(C)C)(C(=O)O)NC(=O)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations