Geometry & MOs

Info

ID:	259606
PubChem CID:	103169165
Reduced:	NSO3C15H29 (1)
Stoich.:	ABC3D15E29 (1)
Weight, g/mol:	343.09471
ΔH_f, kcal/mol:	-157.17
Dipole, Da:	4.76
IP(EA), eV:	-9.44(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2CCCC(C2)S(=O)(=O)C)N

DOS

IR

Vibrations