Geometry & MOs

Info

ID:	277824
PubChem CID:	103831104
Reduced:	F2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	342.09429
ΔH_f, kcal/mol:	-216.47
Dipole, Da:	6.95
IP(EA), eV:	-9.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)N

DOS

IR

Vibrations