Geometry & MOs

Info

ID:	444725
PubChem CID:	135263379
Reduced:	NSO9C19H25 (1)
Stoich.:	ABC9D19E25 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-379.28
Dipole, Da:	2.33
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrimidin-2-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1S)C(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

DOS

IR

Vibrations