Geometry & MOs

Info

ID:	277927
PubChem CID:	103831936
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	5.31
IP(EA), eV:	-8.29(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(4-cyclopentylpiperazin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CN=C(C=C1)N2CCOCC2)N

DOS

IR

Vibrations