Geometry & MOs

Info

ID:	45521
PubChem CID:	10514489
Reduced:	NO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	3.81
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2-[(4-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptane-3,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(O1)/C=N\OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations