Geometry & MOs

Info

ID:	306725
PubChem CID:	125235788
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	3.72
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,7R,7aS)-2-(6-methylpyridazin-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)[C@@H]2C[C@H]3[C@@H](CCO3)N(C2)CC4=CSC=C4

DOS

IR

Vibrations