Geometry & MOs

Info

ID:	45446
PubChem CID:	10513527
Reduced:	FO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	228.099774
ΔH_f, kcal/mol:	-193.99
Dipole, Da:	4.55
IP(EA), eV:	-9.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-methyl 1-O-[(3-methyloxetan-3-yl)methyl] 2-methylidenebutanedioate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OC)OCCF

DOS

IR

Vibrations