Geometry & MOs

Info

ID:	277794
PubChem CID:	103831017
Reduced:	OF2N2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	302.160598
ΔH_f, kcal/mol:	-144.17
Dipole, Da:	3.42
IP(EA), eV:	-9.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations