Geometry & MOs

Info

ID:	433011
PubChem CID:	135173148
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	512.219684
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	2.27
IP(EA), eV:	-9.2(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-[7-(4-methylimidazol-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)OC(=O)C(CC)C(C)(C)C

DOS

IR

Vibrations