Geometry & MOs

Info

ID:	351471
PubChem CID:	127280359
Reduced:	SO2N7C15H25 (1)
Stoich.:	AB2C7D15E25 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	7.17
IP(EA), eV:	-9.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations