Geometry & MOs

Info

ID:	380900
PubChem CID:	134971499
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	267.138505
ΔH_f, kcal/mol:	-24.42
Dipole, Da:	3.84
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1-hydroperoxycyclopropyl)-(4-methylphenyl)methyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3(CC3)O)O[N+](=O)[O-]

DOS

IR

Vibrations