Geometry & MOs

Info

ID:	394693
PubChem CID:	135023549
Reduced:	IOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	422.07428
ΔH_f, kcal/mol:	42.04
Dipole, Da:	4.19
IP(EA), eV:	-9.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-iodophenyl)-8-(3-methylpent-4-ynyl)-1,4-dioxaspiro[4.5]dec-6-ene

Drug info:

PubChemData

Smile

CC(CCC1CCC(=O)C=C1C2=CC=C(C=C2)I)C#C

DOS

IR

Vibrations