Geometry & MOs

Info

ID:	77194
PubChem CID:	48425911
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	396.127247
ΔH_f, kcal/mol:	-147.22
Dipole, Da:	2.77
IP(EA), eV:	-9.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C(C)C)NC(=O)C1=CC=CC(=C1)C

DOS

IR

Vibrations