Geometry & MOs

Info

ID:

447929

PubChem CID:

135286897

Reduced:

SN6H14C22 (1)

Stoich.:

AB6C14D22 (1)

Weight, g/mol:

481.24509

ΔHf, kcal/mol:

220.43

Dipole, Da:

5.55

IP(EA), eV:

 -8.84(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3E)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC=CS6)/NN3

DOS

IR

Vibrations