Geometry & MOs

Info

ID:	308789
PubChem CID:	126522682
Reduced:	FN6H23C28 (1)
Stoich.:	AB6C23D28 (1)
Weight, g/mol:	473.196408
ΔH_f, kcal/mol:	154.83
Dipole, Da:	6.89
IP(EA), eV:	-8.52(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=CC=C6F

DOS

IR

Vibrations