Geometry & MOs

Info

ID:	323098
PubChem CID:	126672401
Reduced:	NOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-1.48
Dipole, Da:	2.9
IP(EA), eV:	-8.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-phenylcyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(CC=C3)NC2=O

DOS

IR

Vibrations