Geometry & MOs

Info

ID:	310308
PubChem CID:	126578413
Reduced:	O2C31H56 (1)
Stoich.:	A2B31C56 (1)
Weight, g/mol:	444.396731
ΔH_f, kcal/mol:	-171.75
Dipole, Da:	1.83
IP(EA), eV:	-9.3(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(2-heptylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCC1=CC=CC=C1

DOS

IR

Vibrations