Geometry & MOs

Info

ID:	266900
PubChem CID:	103579958
Reduced:	BrClFN2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	319.0087
ΔH_f, kcal/mol:	5.78
Dipole, Da:	3.5
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-3-chloropyridin-2-yl)-methylamino]-N-propylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C(C=C(C=N2)Br)Cl)F

DOS

IR

Vibrations