Geometry & MOs

Info

ID:	287923
PubChem CID:	104299294
Reduced:	BrClC18H18 (1)
Stoich.:	ABC18D18 (1)
Weight, g/mol:	367.85957
ΔH_f, kcal/mol:	7.73
Dipole, Da:	3.3
IP(EA), eV:	-9.19(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-3-methylphenyl)-chloromethyl]-2,5-dichlorothiophene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC3=C(CCCC3)C=C2)Cl)Br

DOS

IR

Vibrations