Geometry & MOs

Info

ID:	47797
PubChem CID:	10535367
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	1.69
Dipole, Da:	3.5
IP(EA), eV:	-9.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxypropan-2-yl)-5-methylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

[13CH3][15N]1C[13CH2][15N]=C1C2=CC(=CC=C2)O

DOS

IR

Vibrations