Geometry & MOs

Info

ID:	261946
PubChem CID:	103260660
Reduced:	BrNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	338.99286
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	4.72
IP(EA), eV:	-8.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-3-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC2=C(C=CO2)C(=O)O)Br

DOS

IR

Vibrations