Geometry & MOs

Info

ID:

447818

PubChem CID:

135286001

Reduced:

F3N7H22C29 (1)

Stoich.:

A3B7C22D29 (1)

Weight, g/mol:

507.181901

ΔHf, kcal/mol:

55.95

Dipole, Da:

4.81

IP(EA), eV:

 -8.58(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)N=C3

DOS

IR

Vibrations