Geometry & MOs

Info

ID:	442436
PubChem CID:	135252043
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	523.212058
ΔH_f, kcal/mol:	20.34
Dipole, Da:	1.74
IP(EA), eV:	-8.25(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[[5-[(3Z)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]ethanol

Drug info:

PubChemData

Smile

CCCC(=C)NC1=CC=CC=C1

DOS

IR

Vibrations