Geometry & MOs

Info

ID:	218195
PubChem CID:	85089016
Reduced:	ON2F3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	438.204239
ΔH_f, kcal/mol:	-107.85
Dipole, Da:	1.93
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-5-prop-2-enyloxolan-2-one

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCCC2C(CC4=C(C=C(C=C4)F)F)O)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations