Geometry & MOs

Info

ID:

226018

PubChem CID:

87246619

Reduced:

Cl2N3F7H16C31 (1)

Stoich.:

A2B3C7D16E31 (1)

Weight, g/mol:

435.181901

ΔHf, kcal/mol:

-145.83

Dipole, Da:

1.31

IP(EA), eV:

 -8.98(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro-8-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C=C3C(=CC2(Cl)Cl)NN=C3N(C4=C(C=C(C=C4F)F)F)C5=C(C(=CC(=C5F)F)F)F)C6=CC=CC=C6

DOS

IR

Vibrations