Geometry & MOs

Info

ID:	433195
PubChem CID:	135173332
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	291.97688
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	5.29
IP(EA), eV:	-9.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-(2-methoxyethylsulfonyl)benzene

Drug info:

PubChemData

Smile

C1C(C=CC1N)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations