Geometry & MOs

Info

ID:	204806
PubChem CID:	80010731
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	3.45
IP(EA), eV:	-9.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,3-dimethylazetidin-1-yl)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)COC(=O)C2=CC=C(O2)CN

DOS

IR

Vibrations