Geometry & MOs

Info

ID:	209807
PubChem CID:	80725047
Reduced:	SN2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	303.056529
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	2.73
IP(EA), eV:	-8.21(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyano-2-methoxyphenoxy)methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CNC(CN1CC2(CCCS2)C)C

DOS

IR

Vibrations