Geometry & MOs

Info

ID:	200807
PubChem CID:	79446876
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	328.060855
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	3.36
IP(EA), eV:	-9.05(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-2-(chloromethyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]-4-methylbenzene

Drug info:

PubChemData

Smile

CCC(C)C(C#N)C1=CC(=CC=C1)OC

DOS

IR

Vibrations