Geometry & MOs

Info

ID:

448252

PubChem CID:

135289620

Reduced:

OSN6H22C31 (1)

Stoich.:

ABC6D22E31 (1)

Weight, g/mol:

517.222623

ΔHf, kcal/mol:

182.22

Dipole, Da:

11.26

IP(EA), eV:

 -8.34(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CS7

DOS

IR

Vibrations