Geometry & MOs

Info

ID:

447852

PubChem CID:

135286363

Reduced:

ON9C27H29 (1)

Stoich.:

AB9C27D29 (1)

Weight, g/mol:

541.202637

ΔHf, kcal/mol:

132.11

Dipole, Da:

7.17

IP(EA), eV:

 -8.07(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5N6CCN(CC6)C)N=C2

DOS

IR

Vibrations