Geometry & MOs

Info

ID:	288402
PubChem CID:	104316305
Reduced:	BrON3H6C9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	274.98066
ΔH_f, kcal/mol:	41.13
Dipole, Da:	1.64
IP(EA), eV:	-9.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(5-bromopyridin-2-yl)pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C2=NC=C(N2)C=O

DOS

IR

Vibrations