Geometry & MOs

Info

ID:	388178
PubChem CID:	134988474
Reduced:	FSCl2O2C9H13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	195.087098
ΔH_f, kcal/mol:	-172.94
Dipole, Da:	2.6
IP(EA), eV:	-9.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-(trifluoromethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CCCC[C@H]1SC(F)(Cl)Cl

DOS

IR

Vibrations