Geometry & MOs

Info

ID:	288405
PubChem CID:	104316317
Reduced:	BrN5H6C9 (1)
Stoich.:	AB5C6D9 (1)
Weight, g/mol:	294.01162
ΔH_f, kcal/mol:	121.92
Dipole, Da:	0.9
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-2-yl)-6-(methylaminomethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C2=NNC(=N2)CC#N

DOS

IR

Vibrations