Geometry & MOs

Info

ID:	415856
PubChem CID:	135088858
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	6.41
IP(EA), eV:	-8.94(0.83)
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-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN(C)C(=O)CN(C)CCOC

DOS

IR

Vibrations