Geometry & MOs

Info

ID:	404857
PubChem CID:	135071525
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	367.163102
ΔH_f, kcal/mol:	2.05
Dipole, Da:	4.01
IP(EA), eV:	-9.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-(2,4-dimethoxy-N-methylanilino)-2-oxoethyl]propanedioate

Drug info:

PubChemData

Smile

CC#CCOCC1CC1C(=O)C2=CC=CC=C2

DOS

IR

Vibrations