Geometry & MOs

Info

ID:	356123
PubChem CID:	127291159
Reduced:	N2O2F3C12H19 (1)
Stoich.:	A2B2C3D12E19 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-274.61
Dipole, Da:	5.58
IP(EA), eV:	-9.6(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2CCCOC2)C(F)(F)F

DOS

IR

Vibrations