Geometry & MOs

Info

ID:	422411
PubChem CID:	135117790
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	6.21
IP(EA), eV:	-8.94(0.07)
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]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)CCC3=CC=C(C=C3)O

DOS

IR

Vibrations