Geometry & MOs

Info

ID:

447844

PubChem CID:

135286289

Reduced:

FO2N6H15C24 (1)

Stoich.:

AB2C6D15E24 (1)

Weight, g/mol:

533.19978

ΔHf, kcal/mol:

77.03

Dipole, Da:

3.3

IP(EA), eV:

 -8.76(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1=CN=C(C2=C/C(=C/3\C4=C(NN3)N=CC(=C4)C5=CC(=CN=C5)O)/N=C21)C6=CC(=CC(=C6)F)O

DOS

IR

Vibrations