Geometry & MOs

Info

ID:	396706
PubChem CID:	135029055
Reduced:	OH4C6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	7.17
Dipole, Da:	5.52
IP(EA), eV:	-9.23(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,7-dioxo-7-phenylhept-4-ynoate

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(=O)C(=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations