Geometry & MOs

Info

ID:	405685
PubChem CID:	135074999
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	370.07936
ΔH_f, kcal/mol:	-153.87
Dipole, Da:	5.14
IP(EA), eV:	-10.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-2-undec-10-ynoxybenzene

Drug info:

PubChemData

Smile

CC1(C(CC(=O)O1)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations