Geometry & MOs

Info

ID:	351488
PubChem CID:	127280376
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-162.78
Dipole, Da:	4.94
IP(EA), eV:	-9.28(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations