Geometry & MOs

Info

ID:	415569
PubChem CID:	135088565
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	2.59
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-3-pyrazin-2-ylpropan-1-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CC23CC4CC(C2)CC(C4)(C3)O)O)CC5=CC=NC=C5

DOS

IR

Vibrations