Geometry & MOs

Info

ID:	393066
PubChem CID:	135019183
Reduced:	O4C27H34 (1)
Stoich.:	A4B27C34 (1)
Weight, g/mol:	442.214409
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	5.25
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC#CC(=O)CC(CCCOCC1=CC=CC=C1)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations