Geometry & MOs

Info

ID:	411586
PubChem CID:	135084418
Reduced:	N2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	231.98991
ΔH_f, kcal/mol:	12.35
Dipole, Da:	2.28
IP(EA), eV:	-8.91(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-2-fluoroethyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C=[N+]=[N-])C(C)C

DOS

IR

Vibrations