Geometry & MOs

Info

ID:	308829
PubChem CID:	126522846
Reduced:	ON6H14C22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	507.217144
ΔH_f, kcal/mol:	185.9
Dipole, Da:	5.73
IP(EA), eV:	-8.55(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations