Geometry & MOs

Info

ID:	201862
PubChem CID:	79593896
Reduced:	BrClF3H7C12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	349.95316
ΔH_f, kcal/mol:	-131.04
Dipole, Da:	2.5
IP(EA), eV:	-9.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-methylthiophene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2Br)C(C(F)(F)F)Cl

DOS

IR

Vibrations