Geometry & MOs

Info

ID:	200797
PubChem CID:	79446135
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	431.97343
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	2.79
IP(EA), eV:	-9.65(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-yl]-3-methylbenzene

Drug info:

PubChemData

Smile

CCC(C)C(=O)C1CCC1

DOS

IR

Vibrations