Geometry & MOs

Info

ID:	54951
PubChem CID:	17389583
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	8.31
IP(EA), eV:	-8.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylfuran-2-yl)piperidine

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(N2)C(=O)O.Cl

DOS

IR

Vibrations