Geometry & MOs

Info

ID:

447940

PubChem CID:

135287018

Reduced:

FO2N9H32C33 (1)

Stoich.:

AB2C9D32E33 (1)

Weight, g/mol:

491.186987

ΔHf, kcal/mol:

82.62

Dipole, Da:

13.02

IP(EA), eV:

 -8.65(-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]butanamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCCC7)NN4)/N=C23)F

DOS

IR

Vibrations