Geometry & MOs

Info

ID:	53580
PubChem CID:	14716750
Reduced:	O5C36H42 (1)
Stoich.:	A5B36C42 (1)
Weight, g/mol:	596.350175
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	6.06
IP(EA), eV:	-9.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-methylcyclohex-3-en-1-yl)propoxycarbonyl]phenyl] 4-(4-nonoxyphenyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC[C@H](C)[C@@H]4CCC(=CC4)C

DOS

IR

Vibrations