Geometry & MOs

Info

ID:	200451
PubChem CID:	79390697
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-23.81
Dipole, Da:	2.31
IP(EA), eV:	-8.96(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-(2-phenylsulfanylethylamino)butanoate

Drug info:

PubChemData

Smile

CCN(CC1=NC2=CC=CC=C2N1)CC(C)(C)O

DOS

IR

Vibrations