Geometry & MOs

Info

ID:	165199
PubChem CID:	74515955
Reduced:	ClO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	376.127486
ΔH_f, kcal/mol:	4.95
Dipole, Da:	6.77
IP(EA), eV:	-8.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NC2=CC=CC=C2N3CCCC3=O)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations