Geometry & MOs

Info

ID:	416993
PubChem CID:	135091062
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	2.95
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC=CC(=N1)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations