Geometry & MOs

Info

ID:	177695
PubChem CID:	76218147
Reduced:	N5O6C7H9 (1)
Stoich.:	A5B6C7D9 (1)
Weight, g/mol:	293.033349
ΔH_f, kcal/mol:	-173.31
Dipole, Da:	8.32
IP(EA), eV:	-10.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC(=O)NC(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations