Geometry & MOs

Info

ID:	44781
PubChem CID:	10505937
Reduced:	N2O3C33H40 (1)
Stoich.:	A2B3C33D40 (1)
Weight, g/mol:	512.38656
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	4.08
IP(EA), eV:	-8.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-methyl-4-(1,3,5-tritert-butyl-4-oxocyclohexa-2,5-dien-1-yl)peroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)OC)NC(C3=CC4=C(C=C31)C(CCC4(C)C)(C)C)C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations