Geometry & MOs

Info

ID:	208165
PubChem CID:	80501737
Reduced:	BrON3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	301.04259
ΔH_f, kcal/mol:	6.46
Dipole, Da:	2.22
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-3-bromo-2-oxopyridin-1-yl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

C1=C(C(=O)N(C=C1N)CCCC#N)Br

DOS

IR

Vibrations