Geometry & MOs

Info

ID:	277795
PubChem CID:	103831018
Reduced:	ON2F3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-212.64
Dipole, Da:	4.75
IP(EA), eV:	-9.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(C)C1=CC(=CC=C1)C(F)(F)F)N

DOS

IR

Vibrations