Geometry & MOs

Info

ID:	414132
PubChem CID:	135087087
Reduced:	O7C17H20 (1)
Stoich.:	A7B17C20 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	-271.57
Dipole, Da:	1.97
IP(EA), eV:	-9.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-phenylmethoxycyclohexyl)hexa-3,5-diyn-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C(C1=CC=CC=C1C)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations