Geometry & MOs

Info

ID:	53562
PubChem CID:	14716652
Reduced:	O4C35H48 (1)
Stoich.:	A4B35C48 (1)
Weight, g/mol:	528.360345
ΔH_f, kcal/mol:	-160.33
Dipole, Da:	1.55
IP(EA), eV:	-8.3(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[[4-(4-octylphenyl)phenyl]methoxy]phenyl]-4-propoxypentan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=C(C=C3)OC(C)CC(C)OCCC

DOS

IR

Vibrations