Geometry & MOs

Info

ID:

253621

PubChem CID:

103119614

Reduced:

O2N4H14C15 (1)

Stoich.:

A2B4C14D15 (1)

Weight, g/mol:

268.096026

ΔHf, kcal/mol:

19.12

Dipole, Da:

2.67

IP(EA), eV:

-9.22(-1.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,5-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)O)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations