Geometry & MOs

Info

ID:	410992
PubChem CID:	135083797
Reduced:	IO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	2.24
IP(EA), eV:	-10.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=C)C(=O)CC12C=CC[C@]([C@H]1I)(OC2=O)C

DOS

IR

Vibrations