Geometry & MOs

Info

ID:	277943
PubChem CID:	103832079
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-42.53
Dipole, Da:	2.54
IP(EA), eV:	-9.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1=NC=C(S1)CC)N

DOS

IR

Vibrations