Geometry & MOs

Info

ID:

447918

PubChem CID:

135286813

Reduced:

O2N7H19C26 (1)

Stoich.:

A2B7C19D26 (1)

Weight, g/mol:

519.218287

ΔHf, kcal/mol:

157.3

Dipole, Da:

9.79

IP(EA), eV:

 -8.81(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=COC=C7)/NN4

DOS

IR

Vibrations