Geometry & MOs

Info

ID:	284787
PubChem CID:	104071528
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	5.46
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CCC1CO)CC2=CC=C(O2)C=O

DOS

IR

Vibrations