Geometry & MOs

Info

ID:	277178
PubChem CID:	103827166
Reduced:	BrClON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	346.99238
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	5.15
IP(EA), eV:	-10.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-bromo-5-chlorobenzoyl)-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=CC(=C1)Br)Cl)C#N

DOS

IR

Vibrations