Geometry & MOs

Info

ID:	260723
PubChem CID:	103201763
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	6.02
IP(EA), eV:	-9.33(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[6-(4-methoxy-3-nitrophenoxy)pyridin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=NC=C1)OC2=CC(=C(C=C2)OC)[N+](=O)[O-])N

DOS

IR

Vibrations