Geometry & MOs

Info

ID:	125018
PubChem CID:	50907391
Reduced:	PN3O6C28H52 (1)
Stoich.:	AB3C6D28E52 (1)
Weight, g/mol:	417.193153
ΔH_f, kcal/mol:	-343.63
Dipole, Da:	6.39
IP(EA), eV:	-9.55(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-chloro-4-[6-(oxan-3-ylmethylamino)pyrazin-2-yl]pyridin-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCCCOCP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N

DOS

IR

Vibrations