Geometry & MOs

Info

ID:	405215
PubChem CID:	135073050
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-172.72
Dipole, Da:	5.68
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-oxo-1-phenyl-2-(N-propan-2-ylanilino)ethyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CC=CC=C1)C(=O)N(C)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations