Geometry & MOs

Info

ID:	261751
PubChem CID:	103249306
Reduced:	N2O3C12H26 (1)
Stoich.:	A2B3C12D26 (1)
Weight, g/mol:	315.054084
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	1.69
IP(EA), eV:	-8.5(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)COCCNCCN(C)C(C)C

DOS

IR

Vibrations