Geometry & MOs

Info

ID:	320551
PubChem CID:	126661723
Reduced:	ClFOH18C19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	337.184193
ΔH_f, kcal/mol:	-65.2
Dipole, Da:	2.49
IP(EA), eV:	-9.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-fluoro-2-methyl-3-(4-methylphenyl)phenyl]-2-methyl-N-(2-methylprop-2-enyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1/C(=C(\C)/C(=O)C)/C)Cl)C2=CC=C(C=C2)F

DOS

IR

Vibrations