Geometry & MOs

Info

ID:

444167

PubChem CID:

135261561

Reduced:

FO2N7C37H38 (1)

Stoich.:

AB2C7D37E38 (1)

Weight, g/mol:

531.218287

ΔHf, kcal/mol:

61.04

Dipole, Da:

5.1

IP(EA), eV:

 -8.45(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(4-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CC=CC4=N/C(=C\5/C6=C(NN5)N=CC(=C6)C7=CC(=CN=C7)OCCN8CCCC8)/C=C43)F

DOS

IR

Vibrations