Geometry & MOs

Info

ID:	206590
PubChem CID:	80269673
Reduced:	BrF3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	322.12961
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	2.17
IP(EA), eV:	-10.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bromo-(1-ethylcyclopentyl)methyl]-1,2,4,5-tetramethylbenzene

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(C2=C(C=C(C=C2F)F)F)Br

DOS

IR

Vibrations