Geometry & MOs

Info

ID:	202926
PubChem CID:	79746619
Reduced:	BrFNOC15H17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	214.092456
ΔH_f, kcal/mol:	-45.83
Dipole, Da:	4.28
IP(EA), eV:	-9.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-chloro-2,2-dimethylpropyl)-1-fluoro-2-methylbenzene

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=C(C=C1)F)Br)C2=C(C=CO2)C

DOS

IR

Vibrations