Geometry & MOs

Info

ID:	417695
PubChem CID:	135102504
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	3.97
IP(EA), eV:	-8.9(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)CC(C)N(C)CC(=O)NCC2=CC=CC=C2C

DOS

IR

Vibrations