Geometry & MOs

Info

ID:	444869
PubChem CID:	135263784
Reduced:	ClNSO3C5H16 (1)
Stoich.:	ABCD3E5F16 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-190.97
Dipole, Da:	4.91
IP(EA), eV:	-9.24(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2H-pyridin-1-yl)ethyl 2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

C(CS)N.C(C(CO)O)O.Cl

DOS

IR

Vibrations