Geometry & MOs

Info

ID:	308849
PubChem CID:	126522919
Reduced:	ON6H16C24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	473.196408
ΔH_f, kcal/mol:	171.02
Dipole, Da:	5.21
IP(EA), eV:	-8.7(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[5-[(3E)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CC(=CN=C3)O)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=NC=C6)/NN2

DOS

IR

Vibrations