Geometry & MOs

Info

ID:	84895
PubChem CID:	49870595
Reduced:	SO2N4F6C24H24 (1)
Stoich.:	AB2C4D6E24F24 (1)
Weight, g/mol:	268.168797
ΔH_f, kcal/mol:	-326.01
Dipole, Da:	10.17
IP(EA), eV:	-10.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-(6-methylpyridin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)N[C@H]3CCC[C@H](C3)N4C=NN=C4

DOS

IR

Vibrations