Geometry & MOs

Info

ID:	217739
PubChem CID:	85088300
Reduced:	IO4H11C16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	394.04298
ΔH_f, kcal/mol:	-68.55
Dipole, Da:	6.11
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-iodo-1-phenylpropyl) 3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=CC(=C2C(=C1)OC(=CC3=CC=C(C=C3)I)C2=O)O

DOS

IR

Vibrations