Geometry & MOs

Info

ID:	380483
PubChem CID:	134970944
Reduced:	ClO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	292.111087
ΔH_f, kcal/mol:	-146.96
Dipole, Da:	2.32
IP(EA), eV:	-9.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C(C(C1=CC=C(C=C1)Cl)C(=C)C(=O)OC)C(=O)C

DOS

IR

Vibrations