Geometry & MOs

Info

ID:

444141

PubChem CID:

135261456

Reduced:

FON7H28C31 (1)

Stoich.:

ABC7D28E31 (1)

Weight, g/mol:

437.140036

ΔHf, kcal/mol:

110.76

Dipole, Da:

6.66

IP(EA), eV:

 -8.59(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7)/NN3

DOS

IR

Vibrations