Geometry & MOs

Info

ID:	261526
PubChem CID:	103238181
Reduced:	NO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	2.83
IP(EA), eV:	-9.45(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(CCNCCCO)CC(=O)O

DOS

IR

Vibrations