Geometry & MOs

Info

ID:	253627
PubChem CID:	103119638
Reduced:	ClO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	322.002431
ΔH_f, kcal/mol:	60.55
Dipole, Da:	5.77
IP(EA), eV:	-7.6(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations