Geometry & MOs

Info

ID:	171858
PubChem CID:	75433797
Reduced:	FN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	329.0449
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	1.66
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-N-(2-methylsulfanylethyl)oxan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)NC2=C(C=CC(=C2)F)O

DOS

IR

Vibrations