Geometry & MOs

Info

ID:	333886
PubChem CID:	127252438
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	4.36
IP(EA), eV:	-9.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2-methylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)N2C[C@@H]3[C@@H](C2)OCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations