Geometry & MOs

Info

ID:	251270
PubChem CID:	103102645
Reduced:	BrClN2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-68.29
Dipole, Da:	2.16
IP(EA), eV:	-9.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-bromo-N-ethyl-4-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations