Geometry & MOs

Info

ID:	255808
PubChem CID:	103134840
Reduced:	Br2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	71.69
Dipole, Da:	3.25
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(5-methyloxolan-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=CC(=C2)Br)Br)N

DOS

IR

Vibrations