Geometry & MOs

Info

ID:	47722
PubChem CID:	10534920
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	156.126263
ΔH_f, kcal/mol:	-115.96
Dipole, Da:	3.96
IP(EA), eV:	-9.82(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)propan-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H](O1)CC(=O)C

DOS

IR

Vibrations