Geometry & MOs

Info

ID:	36749
PubChem CID:	8012146
Reduced:	FNO5H14C17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	314.079038
ΔH_f, kcal/mol:	-191.51
Dipole, Da:	4.81
IP(EA), eV:	-8.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)F

DOS

IR

Vibrations