Geometry & MOs

Info

ID:	393067
PubChem CID:	135019184
Reduced:	O4C29H30 (1)
Stoich.:	A4B29C30 (1)
Weight, g/mol:	448.26136
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	4.44
IP(EA), eV:	-8.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-8-phenylmethoxyoct-1-yn-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(CCCOCC2=CC=CC=C2)CC(=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations