Geometry & MOs

Info

ID:	277764
PubChem CID:	103830873
Reduced:	N2O2F3C13H17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-244.61
Dipole, Da:	6.17
IP(EA), eV:	-9.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-acetylphenyl)-2-aminohexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations