Geometry & MOs

Info

ID:	305809
PubChem CID:	124970031
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	6.97
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@H]1C2=CC=C(C=C2)OC)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations