Geometry & MOs

Info

ID:	406018
PubChem CID:	135076309
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	3.78
IP(EA), eV:	-9.34(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenylmethoxy-1-prop-2-enoxypentan-2-one

Drug info:

PubChemData

Smile

CCCOCC(=O)CCCOCC1=CC=CC=C1

DOS

IR

Vibrations