Geometry & MOs

Info

ID:	445776
PubChem CID:	135269467
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-16.22
Dipole, Da:	4.25
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E,9E)-11,11-dihydroperoxy-2,6-dimethyldodeca-2,6,9-triene

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=CC=C2)C)CC3=CC=C(C=C3)CC(=O)NO

DOS

IR

Vibrations