Geometry & MOs

Info

ID:	261931
PubChem CID:	103259613
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	3.79
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(COC)C(=O)O

DOS

IR

Vibrations