Geometry & MOs

Info

ID:	286527
PubChem CID:	104170911
Reduced:	OCl3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	278.064049
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	3.48
IP(EA), eV:	-9.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-2-(chloromethyl)-4-methoxypentan-2-yl]-2-fluorobenzene

Drug info:

PubChemData

Smile

CC(CC(CCl)(CCl)C1=CC=CC=C1Cl)OC

DOS

IR

Vibrations