Geometry & MOs

Info

ID:	216559
PubChem CID:	85086419
Reduced:	ClO4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	280.086622
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	4.73
IP(EA), eV:	-9.42(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-methoxy-1-phenyloct-7-ene-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations