Geometry & MOs

Info

ID:	202142
PubChem CID:	79635610
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	281.246713
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	6.7
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SC2=NC(=O)C=C(N2)C)C(=O)N

DOS

IR

Vibrations