Geometry & MOs

Info

ID:	208159
PubChem CID:	80501731
Reduced:	BrON2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	283.99089
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	5.62
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-3-bromo-2-oxopyridin-1-yl)-N-(cyanomethyl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN1C=C(C=C(C1=O)Br)N

DOS

IR

Vibrations