Geometry & MOs

Info

ID:	53584
PubChem CID:	14716777
Reduced:	O5C29H38 (1)
Stoich.:	A5B29C38 (1)
Weight, g/mol:	466.235539
ΔH_f, kcal/mol:	-223.64
Dipole, Da:	2.09
IP(EA), eV:	-8.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbutyl 4-[4-(4-propanoyloxycyclohexanecarbonyl)oxyphenyl]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)CC

DOS

IR

Vibrations