Geometry & MOs

Info

ID:	426808
PubChem CID:	135153997
Reduced:	ClNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	411.101955
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	3.08
IP(EA), eV:	-9.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-5-methyl-6-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]pyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Cl)N=C=O

DOS

IR

Vibrations