Geometry & MOs

Info

ID:	294894
PubChem CID:	117502803
Reduced:	BrFON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	316.06741
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	3.51
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Br)F)CCN2CCNCC2

DOS

IR

Vibrations