Geometry & MOs

Info

ID:	279191
PubChem CID:	103841948
Reduced:	BrClN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	331.99272
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	7.93
IP(EA), eV:	-9.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-bromo-4-chlorobenzamide

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations