Geometry & MOs

Info

ID:	284786
PubChem CID:	104071515
Reduced:	FNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	4.33
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CN(CC1=CC=C(O1)C=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations