Geometry & MOs

Info

ID:	415069
PubChem CID:	135088055
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	3.53
IP(EA), eV:	-9.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(5-propan-2-ylpyrimidin-2-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCC(CC2)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations