Geometry & MOs

Info

ID:	261918
PubChem CID:	103258901
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	4.75
IP(EA), eV:	-9.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=NC=C1)NCCOC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations