Geometry & MOs

Info

ID:	261684
PubChem CID:	103245326
Reduced:	BrNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-148.21
Dipole, Da:	4.12
IP(EA), eV:	-9.93(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-ethoxy-3-oxopropyl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)OC)NCC1=C(C=C(C=C1)C(=O)O)Br

DOS

IR

Vibrations