Geometry & MOs

Info

ID:	47910
PubChem CID:	10535810
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	2.82
IP(EA), eV:	-9.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[but-3-en-2-yloxy(hydroperoxy)methyl]benzene

Drug info:

PubChemData

Smile

C=C[C@@H](C[C@H](C1=CC=CC=C1)O)OO

DOS

IR

Vibrations