Geometry & MOs

Info

ID:	208152
PubChem CID:	80501724
Reduced:	BrN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	297.04767
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	5.61
IP(EA), eV:	-8.48(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-3-bromo-2-oxopyridin-1-yl)-2,2-dimethylpentanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCN1C=C(C=C(C1=O)Br)N

DOS

IR

Vibrations