Geometry & MOs

Info

ID:	413961
PubChem CID:	135086913
Reduced:	ClO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	468.15253
ΔH_f, kcal/mol:	-45.62
Dipole, Da:	2.74
IP(EA), eV:	-9.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexadec-1-ynyl-1lambda3,2-benziodoxol-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)C(C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations