Geometry & MOs

Info

ID:	446467
PubChem CID:	135275206
Reduced:	NF2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	525.208865
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	4.05
IP(EA), eV:	-8.94(2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3E)-7-fluoro-3-[4-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)N(CCCF)CCCF

DOS

IR

Vibrations