Geometry & MOs

Info

ID:	176889
PubChem CID:	76108102
Reduced:	O4C19H30 (1)
Stoich.:	A4B19C30 (1)
Weight, g/mol:	442.215552
ΔH_f, kcal/mol:	-239.62
Dipole, Da:	3.28
IP(EA), eV:	-9.76(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(2-fluorohexanoyloxy)cyclohexyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC12CCC(CC1CC(C3C2CCC4(C3CCC4=O)C)O)(O)O

DOS

IR

Vibrations