Geometry & MOs

Info

ID:	291899
PubChem CID:	113635237
Reduced:	ClON4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	2.6
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-methylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations