Geometry & MOs

Info

ID:	277762
PubChem CID:	103830869
Reduced:	ION2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	4.81
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(4-butylphenyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=C(C=C1)I)N

DOS

IR

Vibrations