Geometry & MOs

Info

ID:	295850
PubChem CID:	117545687
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-12.71
Dipole, Da:	3.06
IP(EA), eV:	-9.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-ethyl-2-methoxyphenyl)oxetan-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CN)C1(COC1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations