Geometry & MOs

Info

ID:	202330
PubChem CID:	79658873
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	267.267448
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	6.48
IP(EA), eV:	-8.82(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclohexyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=NC=C(S2)C(=O)O)C

DOS

IR

Vibrations