Geometry & MOs

Info

ID:

308689

PubChem CID:

126522385

Reduced:

ON8H22C28 (1)

Stoich.:

AB8C22D28 (1)

Weight, g/mol:

525.207722

ΔHf, kcal/mol:

187.64

Dipole, Da:

6.26

IP(EA), eV:

 -8.84(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-[4-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC=NC=C7)/NN4

DOS

IR

Vibrations