Geometry & MOs

Info

ID:	320484
PubChem CID:	126661326
Reduced:	FON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	303.162314
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	3.34
IP(EA), eV:	-9.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(E)-3-methyl-4-oxopent-2-en-2-yl]-5-(4-methylphenyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1/C(=C(\C)/C(=O)NCCC(C)C)/C)F)C2=CN=CN=C2

DOS

IR

Vibrations