Geometry & MOs

Info

ID:	125259
PubChem CID:	50917400
Reduced:	SF3O6N8C25H31 (1)
Stoich.:	AB3C6D8E25F31 (1)
Weight, g/mol:	372.206245
ΔH_f, kcal/mol:	-323.36
Dipole, Da:	9.16
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)-6-[4-(4-methylimidazol-1-yl)anilino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO.CS(=O)(=O)O

DOS

IR

Vibrations