Geometry & MOs

Info

ID:	413031
PubChem CID:	135085975
Reduced:	ClNOF3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	434.03789
ΔH_f, kcal/mol:	-181.06
Dipole, Da:	3.29
IP(EA), eV:	-9.6(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-3-(2-phenylethoxy)but-1-ynyl]-1lambda3,2-benziodoxol-3-one

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C1=CC=C(C=C1)Cl)/C(F)(F)F

DOS

IR

Vibrations