Geometry & MOs

Info

ID:	413756
PubChem CID:	135086706
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	2.11
IP(EA), eV:	-9.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-methyl-4-oxo-7-phenylmethoxyoct-5-ynoate

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)C#CCCOCC1=CC=CC=C1

DOS

IR

Vibrations