Geometry & MOs

Info

ID:	261594
PubChem CID:	103241616
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	3.97
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCC1COC2=NC=CNC2=O

DOS

IR

Vibrations