Geometry & MOs

Info

ID:	266964
PubChem CID:	103580227
Reduced:	BrClON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	367.0087
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	3.5
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-bromo-3-chloropyridin-2-yl)amino]ethyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=C(C=C(C=N2)Br)Cl)O

DOS

IR

Vibrations