Geometry & MOs

Info

ID:

444168

PubChem CID:

135261562

Reduced:

FON7H26C31 (1)

Stoich.:

ABC7D26E31 (1)

Weight, g/mol:

422.129137

ΔHf, kcal/mol:

102.03

Dipole, Da:

9.98

IP(EA), eV:

 -8.63(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations