Geometry & MOs

Info

ID:	277933
PubChem CID:	103832009
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	295.205991
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	5.38
IP(EA), eV:	-9.17(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(C)CN1C=CN=C1)N

DOS

IR

Vibrations