Geometry & MOs

Info

ID:	380504
PubChem CID:	134970968
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	308.081537
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	4.17
IP(EA), eV:	-9.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C(=C)C(=O)O1)C2=CC=CC=C2Br

DOS

IR

Vibrations