Geometry & MOs

Info

ID:	279195
PubChem CID:	103841991
Reduced:	BrClN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	346.99238
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	5.1
IP(EA), eV:	-9.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-bromo-4-chlorobenzoyl)-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations