Geometry & MOs

Info

ID:	58912
PubChem CID:	24715633
Reduced:	ClNSO3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	328.133554
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	3.58
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)O)N1C(SCC1=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations