Geometry & MOs

Info

ID:	26226
PubChem CID:	641415
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-121.62
Dipole, Da:	3.54
IP(EA), eV:	-9.22(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-oxo-9-phenylnona-2,8-diynoate

Drug info:

PubChemData

Smile

C[C@H]([C@H](CC1=CC=CC=C1)OC)C(=O)OC

DOS

IR

Vibrations