Geometry & MOs

Info

ID:	275036
PubChem CID:	103813316
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	284.221226
ΔH_f, kcal/mol:	-34.96
Dipole, Da:	5.13
IP(EA), eV:	-9.57(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2R)-2-aminopentanoyl]piperazin-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations