Geometry & MOs

Info

ID:	277925
PubChem CID:	103831928
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	2.29
IP(EA), eV:	-8.14(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2S)-2-aminohexanoyl]piperazin-1-yl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations