Geometry & MOs

Info

ID:	294385
PubChem CID:	117455715
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	283.133907
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	7.18
IP(EA), eV:	-9.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-4-(oxan-3-yloxy)phenyl]butan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2(CCCCC2)N)S(=O)(=O)C

DOS

IR

Vibrations