Geometry & MOs

Info

ID:	423878
PubChem CID:	135120594
Reduced:	OCl2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	24.59
Dipole, Da:	2.12
IP(EA), eV:	-9.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)C(C2CC2)NC(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations