Geometry & MOs

Info

ID:	308781
PubChem CID:	126522670
Reduced:	N4H8C11 (2)
Stoich.:	A4B8C11 (2)
Weight, g/mol:	513.24525
ΔH_f, kcal/mol:	235.26
Dipole, Da:	3.62
IP(EA), eV:	-8.58(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]-4-piperidin-1-ylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CN=CC=C6)/NN3

DOS

IR

Vibrations