Geometry & MOs

Info

ID:	153936
PubChem CID:	56313281
Reduced:	ClFN2O2C22H26 (1)
Stoich.:	ABC2D2E22F26 (1)
Weight, g/mol:	315.143471
ΔH_f, kcal/mol:	-126.47
Dipole, Da:	3.43
IP(EA), eV:	-9.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(C)(C)C1=CC=CC=C1F)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations