Geometry & MOs

Info

ID:	365816
PubChem CID:	127318547
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	5.33
Dipole, Da:	5.92
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C(=O)C4CC5CCC4O5

DOS

IR

Vibrations