Geometry & MOs

Info

ID:	144844
PubChem CID:	53422658
Reduced:	O3C32H40 (1)
Stoich.:	A3B32C40 (1)
Weight, g/mol:	450.19948
ΔH_f, kcal/mol:	-77.69
Dipole, Da:	4.42
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-iodo-3,3-dimethylnonadec-18-enoic acid

Drug info:

PubChemData

Smile

CCC(CCC=CCC=CCC=CCC=CCCCC(=O)OC)C(=O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations