Geometry & MOs

Info

ID:	131773
PubChem CID:	51260473
Reduced:	BrN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	346.085098
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	2.82
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCN(C)CC(=O)NC1=CC=CC=C1Br

DOS

IR

Vibrations