Geometry & MOs

Info

ID:	418309
PubChem CID:	135104173
Reduced:	ClON2C20H29 (1)
Stoich.:	ABC2D20E29 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	4.04
IP(EA), eV:	-8.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-1-[(3-methylpyrazin-2-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridine

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C3CCN(CC3)C4=CC=CC=C4Cl)O

DOS

IR

Vibrations