Geometry & MOs

Info

ID:	217661
PubChem CID:	85088181
Reduced:	FSiO2C23H31 (1)
Stoich.:	ABC2D23E31 (1)
Weight, g/mol:	385.99344
ΔH_f, kcal/mol:	-138.69
Dipole, Da:	2.1
IP(EA), eV:	-8.71(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-1-phenylpropoxy)-1-iodo-2-methylbenzene

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(C2(C#C[Si](C)(C)C)O)F)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations