Geometry & MOs

Info

ID:	385560
PubChem CID:	134979408
Reduced:	O2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	298.19328
ΔH_f, kcal/mol:	-177.05
Dipole, Da:	2.72
IP(EA), eV:	-8.78(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-3-[6-(3-methoxyphenyl)hexyl]benzene

Drug info:

PubChemData

Smile

CC1[C@@H]2C[C@]1(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O

DOS

IR

Vibrations