Geometry & MOs

Info

ID:	423340
PubChem CID:	135119332
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	3.43
IP(EA), eV:	-8.92(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(C)NC(=O)CN2CCCCCC2=O)C

DOS

IR

Vibrations