Geometry & MOs

Info

ID:	19683
PubChem CID:	570249
Reduced:	O4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	-26.87
Dipole, Da:	2.0
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroperoxy-2-methyl-3-methylidene-1-benzofuran-6-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1(C(=C)C2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3)OO

DOS

IR

Vibrations