Geometry & MOs

Info

ID:	419127
PubChem CID:	135107556
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	4.51
IP(EA), eV:	-8.92(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations