Geometry & MOs

Info

ID:	254451
PubChem CID:	103125358
Reduced:	ClON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	333.02252
ΔH_f, kcal/mol:	60.13
Dipole, Da:	3.82
IP(EA), eV:	-9.0(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-propylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Cl)C(=O)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations