Geometry & MOs

Info

ID:	435892
PubChem CID:	135192694
Reduced:	F4O5H22C23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	-350.03
Dipole, Da:	4.13
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 4-hexylbenzoate

Drug info:

PubChemData

Smile

C=CC(O)OCCC1=CC(=C(C(=C1)F)C(OC2=CC=C(C=C2)CCOC(=O)C=C)(F)F)F

DOS

IR

Vibrations