Geometry & MOs

Info

ID:	405457
PubChem CID:	135074011
Reduced:	LiPO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	302.05315
ΔH_f, kcal/mol:	-31.36
Dipole, Da:	11.28
IP(EA), eV:	-6.18(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodo-3,3-dimethylbutyl)-2-methylbenzene

Drug info:

PubChemData

Smile

[Li+].CCO[C-](OCC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations