Geometry & MOs

Info

ID:	420847
PubChem CID:	135114922
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	21.71
Dipole, Da:	3.69
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(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-methyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2N1CC(=O)N(CCN(C)C)CC3=CN=CN3

DOS

IR

Vibrations