Geometry & MOs

Info

ID:

445641

PubChem CID:

135268707

Reduced:

IN2O5C24H29 (1)

Stoich.:

AB2C5D24E29 (1)

Weight, g/mol:

487.165582

ΔHf, kcal/mol:

-130.33

Dipole, Da:

4.69

IP(EA), eV:

 -9.01(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3Z)-4-fluoro-3-(7-morpholin-4-yl-1H-quinazolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]-5-methyl-1,3-dihydropyrazolo[1,5-a]pyridine-2,7-dione

Drug info:

PubChemData

Smile

CC(C)CCN1C2=C(CC(C(=O)/C(=C\C2=O)/CCCO)I)N=C1OC3=CC=CC(=C3)OC

DOS

IR

Vibrations