Geometry & MOs

Info

ID:

446241

PubChem CID:

135273421

Reduced:

FN7H24C28 (1)

Stoich.:

AB7C24D28 (1)

Weight, g/mol:

531.218287

ΔHf, kcal/mol:

139.92

Dipole, Da:

6.69

IP(EA), eV:

 -8.57(-2.09)

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]cyclopentanecarboxamide

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(C)C)/C=C32

DOS

IR

Vibrations