Geometry & MOs

Info

ID:	25583
PubChem CID:	626893
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	458.16818
ΔH_f, kcal/mol:	-101.85
Dipole, Da:	3.44
IP(EA), eV:	-8.4(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 15-(4-iodophenyl)pentadecanoate

Drug info:

PubChemData

Smile

COC1C(=O)CC2=C(C=CC(=C2OC)OC)C3=CC=CC=C13

DOS

IR

Vibrations