Geometry & MOs

Info

ID:	282746
PubChem CID:	103937779
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	1.71
IP(EA), eV:	-8.97(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(4-methylsulfonylphenoxy)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)OC2=CC=CC=C2OC)N

DOS

IR

Vibrations