Geometry & MOs

Info

ID:	212782
PubChem CID:	81061843
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-137.47
Dipole, Da:	6.9
IP(EA), eV:	-9.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[2-ethoxyethyl(methyl)carbamoyl]-3-methylthiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC=CC(=C1)/C=C/C(=O)O

DOS

IR

Vibrations