Geometry & MOs

Info

ID:	271538
PubChem CID:	103682796
Reduced:	OF2N2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	289.090328
ΔH_f, kcal/mol:	-109.13
Dipole, Da:	3.95
IP(EA), eV:	-9.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-methoxyphenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NCC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations