Geometry & MOs

Info

ID:	261749
PubChem CID:	103249241
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	3.89
IP(EA), eV:	-9.2(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/NC1(CCCC1)CO

DOS

IR

Vibrations