Geometry & MOs

Info

ID:	296192
PubChem CID:	117560348
Reduced:	Cl2N2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	186.173213
ΔH_f, kcal/mol:	-12.73
Dipole, Da:	2.54
IP(EA), eV:	-8.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(4-methylpiperazin-1-yl)butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CCN)NC1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations