Geometry & MOs

Info

ID:	73223
PubChem CID:	48417228
Reduced:	BrON6H11C15 (1)
Stoich.:	ABC6D11E15 (1)
Weight, g/mol:	253.071208
ΔH_f, kcal/mol:	102.6
Dipole, Da:	6.92
IP(EA), eV:	-9.28(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations