Geometry & MOs

Info

ID:	414133
PubChem CID:	135087088
Reduced:	O2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	42.44
Dipole, Da:	6.04
IP(EA), eV:	-9.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dimethyl-8-phenylmethoxynona-4,6-diyn-3-one

Drug info:

PubChemData

Smile

CC(=O)C#CC#CC1(CCCCC1)OCC2=CC=CC=C2

DOS

IR

Vibrations