Geometry & MOs

Info

ID:	392754
PubChem CID:	135017847
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	450.03281
ΔH_f, kcal/mol:	-174.05
Dipole, Da:	5.06
IP(EA), eV:	-8.74(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-but-3-enyl-5-(4-iodophenyl)benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=C(C=C(C=C2OC)CO)CO)O

DOS

IR

Vibrations