Geometry & MOs

Info

ID:	277916
PubChem CID:	103831882
Reduced:	ClON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	2.69
IP(EA), eV:	-8.64(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-(N-methylanilino)propyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations