Geometry & MOs

Info

ID:	376463
PubChem CID:	134222477
Reduced:	OF3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-250.35
Dipole, Da:	3.59
IP(EA), eV:	-10.68(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one

Drug info:

PubChemData

Smile

CC1CCC2C1CCC(C2)C(C)(C(F)(F)F)O

DOS

IR

Vibrations