Geometry & MOs

Info

ID:	216329
PubChem CID:	85086056
Reduced:	N3O5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	8.37
IP(EA), eV:	-9.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(phenylmethoxymethyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

CCOC=CC1=C(C(=NC(=N1)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations