Geometry & MOs

Info

ID:	446808
PubChem CID:	135277859
Reduced:	ClOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	1.67
IP(EA), eV:	-9.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-2-methylpropoxy)-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(=C1Cl)CC(C)C2=COC=C2

DOS

IR

Vibrations