Geometry & MOs

Info

ID:	383792
PubChem CID:	134975726
Reduced:	BrClC11H20 (1)
Stoich.:	ABC11D20 (1)
Weight, g/mol:	260.013763
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	2.65
IP(EA), eV:	-9.94(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4,4,4-trichloro-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCCCC1(C(C1(Cl)Br)(C)C)C

DOS

IR

Vibrations