Geometry & MOs

Info

ID:	147128
PubChem CID:	53786781
Reduced:	OSC15H18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	16.88
Dipole, Da:	3.38
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2S,3S)-2-amino-3-methylpentanoate

Drug info:

PubChemData

Smile

CCCC#CC(=O)[C@@H]1CCC[C@H]1C2=CC=CS2

DOS

IR

Vibrations