Geometry & MOs

Info

ID:	282753
PubChem CID:	103938031
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	27.63
Dipole, Da:	2.71
IP(EA), eV:	-9.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(2-bromo-6-nitrophenoxy)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)OC2=CC(=NN2C)C)N

DOS

IR

Vibrations