Geometry & MOs

Info

ID:	356091
PubChem CID:	127291127
Reduced:	O3N7C13H21 (1)
Stoich.:	A3B7C13D21 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	3.68
IP(EA), eV:	-9.67(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorobenzoyl)amino]-N-(oxan-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations