Geometry & MOs

Info

ID:	194767
PubChem CID:	78587899
Reduced:	ClFNO3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	320.100836
ΔH_f, kcal/mol:	-150.65
Dipole, Da:	5.85
IP(EA), eV:	-9.16(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinyl]-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations