Geometry & MOs

Info

ID:	267667
PubChem CID:	103583416
Reduced:	ClBr2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	347.00362
ΔH_f, kcal/mol:	43.14
Dipole, Da:	1.96
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-3-chloropyridin-2-yl)-N-ethylmorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=C(C=C(C=N2)Br)Cl)Br

DOS

IR

Vibrations