Geometry & MOs

Info

ID:

449810

PubChem CID:

135301732

Reduced:

FO4N5C25H32 (2)

Stoich.:

AB4C5D25E32 (2)

Weight, g/mol:

508.249921

ΔHf, kcal/mol:

-314.01

Dipole, Da:

8.97

IP(EA), eV:

 -8.23(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(E)-2-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]prop-1-enyl]-N-methylidenemethanimidamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=NC=C(C=C2)C#CC3=CC=C(C=C3)C[C@@H]([C@H](CN(CC4=C(C=C(C=C4F)C5=NN(C=C5)C)F)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)[C@H](C(C)(C)C)NC(=O)OC

DOS

IR

Vibrations