Geometry & MOs

Info

ID:	412427
PubChem CID:	135085318
Reduced:	OSC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	258.034498
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	1.05
IP(EA), eV:	-8.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trichlorodecan-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C(SC)SC)C=O

DOS

IR

Vibrations