Geometry & MOs

Info

ID:	47849
PubChem CID:	10535606
Reduced:	FOH9C12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	4.19
IP(EA), eV:	-9.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-methyl-1,3-dioxan-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)C=CC(=C2)F

DOS

IR

Vibrations