Geometry & MOs

Info

ID:	259439
PubChem CID:	103165751
Reduced:	BrF2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	294.09831
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	2.13
IP(EA), eV:	-9.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-bromo-2-cyclobutylethyl)-4-butan-2-ylbenzene

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=C(C=CC(=C2)F)F)Br

DOS

IR

Vibrations