Geometry & MOs

Info

ID:	404931
PubChem CID:	135071824
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-116.91
Dipole, Da:	4.68
IP(EA), eV:	-9.17(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-3-(N,4-dimethylanilino)-2-methyl-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)OCC)N(CC1=CC=CC=C1)C(=O)CC#CC2=CC=CC=C2

DOS

IR

Vibrations