Geometry & MOs

Info

ID:

447880

PubChem CID:

135286519

Reduced:

FO2N8H29C32 (1)

Stoich.:

AB2C8D29E32 (1)

Weight, g/mol:

535.213201

ΔHf, kcal/mol:

70.41

Dipole, Da:

1.53

IP(EA), eV:

 -8.83(-2.17)

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]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)/C=C23)F

DOS

IR

Vibrations