Geometry & MOs

Info

ID:	277930
PubChem CID:	103831996
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	295.187147
ΔH_f, kcal/mol:	-13.25
Dipole, Da:	3.39
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCN(CC1)C2=NC=CN=C2)N

DOS

IR

Vibrations