Geometry & MOs

Info

ID:	372431
PubChem CID:	131297510
Reduced:	O2N3H7C11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	251.96467
ΔH_f, kcal/mol:	47.55
Dipole, Da:	5.65
IP(EA), eV:	-8.58(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-methoxypyrazolo[1,5-a]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=O)C(=O)C=C1C2=CNC=C(N2)C#N

DOS

IR

Vibrations