Geometry & MOs

Info

ID:	169261
PubChem CID:	75081192
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	3.92
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-[4-[4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC(CCOC1=CC=C(C=C1)S(=O)(=O)C)C2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations