Geometry & MOs

Info

ID:	277128
PubChem CID:	103826877
Reduced:	BrClNOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	332.97673
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	4.5
IP(EA), eV:	-9.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate

Drug info:

PubChemData

Smile

CCC1CCCN1C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations