Geometry & MOs

Info

ID:

433003

PubChem CID:

135173140

Reduced:

N4H30C39 (1)

Stoich.:

A4B30C39 (1)

Weight, g/mol:

579.250649

ΔHf, kcal/mol:

210.72

Dipole, Da:

2.23

IP(EA), eV:

 -7.98(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5C4(C6C=CC=CN6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations