Geometry & MOs

Info

ID:	414055
PubChem CID:	135087009
Reduced:	NPO5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	266.092101
ΔH_f, kcal/mol:	-249.23
Dipole, Da:	5.2
IP(EA), eV:	-9.34(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-5,5-diethoxy-3-oxohexanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)C(NC(=O)C)P(=O)(OC)OC

DOS

IR

Vibrations