Geometry & MOs

Info

ID:

448178

PubChem CID:

135289044

Reduced:

ON7H23C29 (1)

Stoich.:

AB7C23D29 (1)

Weight, g/mol:

512.159472

ΔHf, kcal/mol:

169.02

Dipole, Da:

12.67

IP(EA), eV:

 -8.52(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]-4-thiophen-2-ylpyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1CC(C1)C(=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