Geometry & MOs

Info

ID:	417954
PubChem CID:	135103171
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	3.82
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2-aminopyridin-3-yl)methyl]-4-benzyl-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations