Geometry & MOs

Info

ID:	266977
PubChem CID:	103580284
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	319.0087
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	4.98
IP(EA), eV:	-8.54(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-3-chloropyridin-2-yl)-propylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CNC2=C(C=C(C=N2)Br)Cl)O

DOS

IR

Vibrations