Geometry & MOs

Info

ID:	353250
PubChem CID:	127284430
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-170.29
Dipole, Da:	3.79
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations