Geometry & MOs

Info

ID:	437329
PubChem CID:	135224297
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	597.277613
ΔH_f, kcal/mol:	-108.6
Dipole, Da:	2.45
IP(EA), eV:	-9.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-4-fluoro-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCCCCCC1=CC(=CC(=C1)CC(=O)OOC)CCCCCC

DOS

IR

Vibrations