Geometry & MOs

Info

ID:	261462
PubChem CID:	103234970
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	7.73
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylanilino)methyl]-1-benzofuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCOC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations