Geometry & MOs

Info

ID:	141440
PubChem CID:	52877869
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	438.275667
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	4.28
IP(EA), eV:	-8.73(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(3R)-1-benzylpiperidin-1-ium-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](CN(CC(=O)N)C1=CC=CC=C1)O

DOS

IR

Vibrations