Geometry & MOs

Info

ID:	8897
PubChem CID:	83297
Reduced:	Cl3C4H7 (1)
Stoich.:	A3B4C7 (1)
Weight, g/mol:	159.961333
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	2.59
IP(EA), eV:	-11.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trichlorobutane

Drug info:

PubChemData

Smile

CCCC(Cl)(Cl)Cl

DOS

IR

Vibrations