Geometry & MOs

Info

ID:	320465
PubChem CID:	126661301
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	379.155927
ΔH_f, kcal/mol:	49.01
Dipole, Da:	3.35
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-fluoro-2-methyl-3-(3,4,5-trifluorophenyl)phenyl]-2-methyl-N-propylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1C2=CN=C(C=C2)NC)C#N)/C=C/3\CCCCNC3=O

DOS

IR

Vibrations