Geometry & MOs

Info

ID:	261924
PubChem CID:	103259330
Reduced:	BrClNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	3.41
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Cl)Br)C(=O)O

DOS

IR

Vibrations