Geometry & MOs

Info

ID:	200809
PubChem CID:	79447280
Reduced:	ClFC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	321.98907
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	1.69
IP(EA), eV:	-9.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-bis(chloromethyl)-3-methylbutyl]-3-bromobenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)CC(CCl)CCl

DOS

IR

Vibrations