Geometry & MOs

Info

ID:	380482
PubChem CID:	134970943
Reduced:	O2F3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	308.081537
ΔH_f, kcal/mol:	-218.44
Dipole, Da:	4.89
IP(EA), eV:	-10.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-acetyl-3-(4-chlorophenyl)-2-methylidene-5-oxohexanoate

Drug info:

PubChemData

Smile

CC1CC(C(=C)C(=O)O1)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations