Geometry & MOs

Info

ID:	397194
PubChem CID:	135029868
Reduced:	OC14H14 (2)
Stoich.:	AB14C14 (2)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	2.39
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroperoxy-2-methyl-3-phenylpropanal

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=CC3=C1CCC4=C(C3)C=C(CCC5=CC=C(CC2)C=C5)C=C4

DOS

IR

Vibrations