Geometry & MOs

Info

ID:

308956

PubChem CID:

126532587

Reduced:

ClFON7C27H27 (1)

Stoich.:

ABCD7E27F27 (1)

Weight, g/mol:

546.229186

ΔHf, kcal/mol:

15.88

Dipole, Da:

1.7

IP(EA), eV:

 -8.78(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)N5CCN(CC5)CC(=O)N

DOS

IR

Vibrations