Geometry & MOs

Info

ID:	261731
PubChem CID:	103247906
Reduced:	FN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	5.23
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-butan-2-yloxyanilino)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)CNC2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations