Geometry & MOs

Info

ID:	413980
PubChem CID:	135086933
Reduced:	BrO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	2.23
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-7-phenylmethoxyocta-3,5-diyn-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)COC2=CC=CC=C2)Br)OC

DOS

IR

Vibrations