Geometry & MOs

Info

ID:	294756
PubChem CID:	117488707
Reduced:	BrClN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	303.069592
ΔH_f, kcal/mol:	12.42
Dipole, Da:	3.08
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]butan-1-amine

Drug info:

PubChemData

Smile

CN1CC(CC1C2=C(C=CC(=C2)Br)Cl)CN

DOS

IR

Vibrations