Geometry & MOs

Info

ID:	283160
PubChem CID:	103961922
Reduced:	BrN2O3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	226.96942
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	7.45
IP(EA), eV:	-8.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CCN1C=C(C(=O)C(=C1)Br)N

DOS

IR

Vibrations