Geometry & MOs

Info

ID:	277921
PubChem CID:	103831911
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	298.236876
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	4.55
IP(EA), eV:	-9.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations