Geometry & MOs

Info

ID:	404832
PubChem CID:	135071380
Reduced:	BrNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	2.54
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C(C)(C(=O)C)Br

DOS

IR

Vibrations