Geometry & MOs

Info

ID:	356070
PubChem CID:	127291106
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-40.52
Dipole, Da:	2.27
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(oxan-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations