Geometry & MOs

Info

ID:	189696
PubChem CID:	77889870
Reduced:	ON4C25H28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	564.19844
ΔH_f, kcal/mol:	9.58
Dipole, Da:	1.54
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-N-[4-(3,4-dihydroxy-4,5-dimethylcyclohexyl)pyridin-3-yl]-5-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N3C4CCCCC4N(C3=N2)C5=NC=CC(=C5)C6=CC=CC=C6

DOS

IR

Vibrations