Geometry & MOs

Info

ID:	61752
PubChem CID:	26712499
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	340.158706
ΔH_f, kcal/mol:	-66.66
Dipole, Da:	3.32
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations