Geometry & MOs

Info

ID:	49119
PubChem CID:	11528730
Reduced:	OF3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	-181.42
Dipole, Da:	4.84
IP(EA), eV:	-10.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C=C)C(C1=CC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations