Geometry & MOs

Info

ID:	38124
PubChem CID:	8027203
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	221.967291
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	2.9
IP(EA), eV:	-9.52(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,5-bis(chloromethyl)thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=O)N1

DOS

IR

Vibrations