Geometry & MOs

Info

ID:	149666
PubChem CID:	53789340
Reduced:	Br2O3N4C20H24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	154.079393
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	3.65
IP(EA), eV:	-8.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(fluoromethoxymethyl)-4-methylbenzene

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=C(C(=C(C=C1OC)Br)CN2CCN(CC2)C3=CC=CC=N3)Br

DOS

IR

Vibrations