Geometry & MOs

Info

ID:	276453
PubChem CID:	103823377
Reduced:	BrClON2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	276.95052
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	6.82
IP(EA), eV:	-8.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-3-chloroanilino)acetate

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations