Geometry & MOs

Info

ID:	289692
PubChem CID:	104367561
Reduced:	FSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	227.098
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	4.4
IP(EA), eV:	-8.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(ethyl)amino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C3=CSC(=C3)C(=O)O

DOS

IR

Vibrations