Geometry & MOs

Info

ID:

448051

PubChem CID:

135288012

Reduced:

F2N5H17C22 (1)

Stoich.:

A2B5C17D22 (1)

Weight, g/mol:

524.190692

ΔHf, kcal/mol:

108.12

Dipole, Da:

14.76

IP(EA), eV:

 -7.38(-2.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3Z)-3-[4-(5-fluorothiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=CN=C5)C#N)C

DOS

IR

Vibrations