Geometry & MOs

Info

ID:	373427
PubChem CID:	131315061
Reduced:	BrON2H5C9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	235.96976
ΔH_f, kcal/mol:	43.13
Dipole, Da:	4.91
IP(EA), eV:	-9.88(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-7-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2O1)Br)C#N

DOS

IR

Vibrations