Geometry & MOs

Info

ID:

447955

PubChem CID:

135287129

Reduced:

O2N7H19C25 (1)

Stoich.:

A2B7C19D25 (1)

Weight, g/mol:

542.179042

ΔHf, kcal/mol:

130.17

Dipole, Da:

10.42

IP(EA), eV:

 -8.81(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=COC=C6)/NN3

DOS

IR

Vibrations