Geometry & MOs

Info

ID:	320480
PubChem CID:	126661322
Reduced:	NO2F4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	329.102749
ΔH_f, kcal/mol:	-253.2
Dipole, Da:	2.75
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(E)-2-methyl-3-oxobut-1-enyl]-5-(3,4,5-trifluorophenyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C2C(CCNC2=O)CC3=C(C=C(C=C13)F)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations