Geometry & MOs

Info

ID:	208164
PubChem CID:	80501736
Reduced:	BrOCl2N2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	255.00072
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	4.58
IP(EA), eV:	-8.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-3-bromo-2-oxopyridin-1-yl)butanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=C(C2=O)Br)N

DOS

IR

Vibrations