Geometry & MOs

Info

ID:	388153
PubChem CID:	134988332
Reduced:	FO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-163.43
Dipole, Da:	1.18
IP(EA), eV:	-10.5(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-benzyl-4-methylpentanoate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)C/C=C\F

DOS

IR

Vibrations