Geometry & MOs

Info

ID:	295853
PubChem CID:	117545849
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-9.44
Dipole, Da:	3.18
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-chloro-4-methoxyphenyl)oxetan-3-yl]-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CNCCCC1(COC1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations