Geometry & MOs

Info

ID:	279149
PubChem CID:	103841685
Reduced:	BrClON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	360.02402
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	3.9
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC2CC(CCN2C1)NC(=O)C3=CC(=C(C=C3)Cl)Br

DOS

IR

Vibrations