Geometry & MOs

Info

ID:	253626
PubChem CID:	103119636
Reduced:	ClO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	288.041403
ΔH_f, kcal/mol:	58.71
Dipole, Da:	5.3
IP(EA), eV:	-7.61(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,5-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=O)C(=CC1=NC(=O)C2=CNN3C2=CNC=C3)Cl

DOS

IR

Vibrations