Geometry & MOs

Info

ID:	295859
PubChem CID:	117545975
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-14.32
Dipole, Da:	2.46
IP(EA), eV:	-9.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-bromophenyl)oxetan-3-yl]butan-2-amine

Drug info:

PubChemData

Smile

CC(CCC1(COC1)C2=CC=CS2)N

DOS

IR

Vibrations