Geometry & MOs

Info

ID:	53579
PubChem CID:	14716747
Reduced:	O5C30H38 (1)
Stoich.:	A5B30C38 (1)
Weight, g/mol:	554.303224
ΔH_f, kcal/mol:	-201.72
Dipole, Da:	6.48
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propoxy]carbonylphenyl] 4-(4-hexoxyphenyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(C)C3CCC(=CC3)C

DOS

IR

Vibrations