Geometry & MOs

Info

ID:	202129
PubChem CID:	79633392
Reduced:	Cl2N3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	61.37
Dipole, Da:	4.62
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations