Geometry & MOs

Info

ID:	296001
PubChem CID:	117549752
Reduced:	BrNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	27.03
Dipole, Da:	4.19
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C2(COC2)C3=CC=CC=C3Br

DOS

IR

Vibrations