Geometry & MOs

Info

ID:	417846
PubChem CID:	135102905
Reduced:	N2O2C23H34 (1)
Stoich.:	A2B2C23D34 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	3.12
IP(EA), eV:	-8.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R,4S)-4-benzyl-4-carboxy-3-hydroxypiperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations