Geometry & MOs

Info

ID:	19727
PubChem CID:	571411
Reduced:	IO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	365.97529
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	3.17
IP(EA), eV:	-9.51(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 2-iodobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2I

DOS

IR

Vibrations