Geometry & MOs

Info

ID:	402065
PubChem CID:	135054134
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	370.214409
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	1.81
IP(EA), eV:	-9.6(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-7-phenylmethoxy-4-(2-phenylpropan-2-ylperoxy)heptan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)[C@H](C1=CC=CO1)O

DOS

IR

Vibrations