Geometry & MOs

Info

ID:

446242

PubChem CID:

135273432

Reduced:

FON7H26C31 (1)

Stoich.:

ABC7D26E31 (1)

Weight, g/mol:

545.233937

ΔHf, kcal/mol:

98.28

Dipole, Da:

6.84

IP(EA), eV:

 -8.56(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7CCCC7)/C=C32

DOS

IR

Vibrations