Geometry & MOs

Info

ID:	186065
PubChem CID:	77385841
Reduced:	O5C7H10 (1)
Stoich.:	A5B7C10 (1)
Weight, g/mol:	419.95474
ΔH_f, kcal/mol:	-193.61
Dipole, Da:	6.96
IP(EA), eV:	-10.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis[3-(bromomethyl)phenyl]penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

COC1COC(=CC1O)C(=O)O

DOS

IR

Vibrations