Geometry & MOs

Info

ID:	422723
PubChem CID:	135118301
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	3.91
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC(=C(C=C4)OC)O

DOS

IR

Vibrations