Geometry & MOs

Info

ID:	423900
PubChem CID:	135120681
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	42.5
Dipole, Da:	6.2
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(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]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC=CC(=C3)C#N)C4=C1C=CS4

DOS

IR

Vibrations