Geometry & MOs

Info

ID:

448220

PubChem CID:

135289365

Reduced:

ON7H21C28 (1)

Stoich.:

AB7C21D28 (1)

Weight, g/mol:

534.183795

ΔHf, kcal/mol:

183.53

Dipole, Da:

12.24

IP(EA), eV:

 -8.53(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(5-acetylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=NC=C7

DOS

IR

Vibrations