Geometry & MOs

Info

ID:	408032
PubChem CID:	135080787
Reduced:	FO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	268.04628
ΔH_f, kcal/mol:	-179.74
Dipole, Da:	3.81
IP(EA), eV:	-11.24(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-1-bromo-4-methylpent-1-enoxy]-3-methylbenzene

Drug info:

PubChemData

Smile

CCCCCC[C@@H](C)OC(=O)F

DOS

IR

Vibrations