Geometry & MOs

Info

ID:	204793
PubChem CID:	80008915
Reduced:	ClN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	285.223869
ΔH_f, kcal/mol:	36.99
Dipole, Da:	1.95
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopentyl]methanethiol

Drug info:

PubChemData

Smile

CCC(CC)(C1=NC=C(C=N1)C2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations