Geometry & MOs

Info

ID:	262013
PubChem CID:	103266318
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	5.06
IP(EA), eV:	-9.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(but-3-enylamino)methyl]-3-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C=CCCNCC1=CC(=CC=C1)C(=O)O

DOS

IR

Vibrations