Geometry & MOs

Info

ID:	411289
PubChem CID:	135084102
Reduced:	IOC5H9 (1)
Stoich.:	ABC5D9 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	1.1
IP(EA), eV:	-9.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H](/C=C(/C)\I)O

DOS

IR

Vibrations