Geometry & MOs

Info

ID:	275030
PubChem CID:	103813272
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	2.86
IP(EA), eV:	-9.13(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)[C@H]2CCCN2)C3=CC=CC=C3

DOS

IR

Vibrations