Geometry & MOs

Info

ID:	277754
PubChem CID:	103830829
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	4.16
IP(EA), eV:	-8.72(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3,4-dimethylphenyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=CC=C1C)N

DOS

IR

Vibrations