Geometry & MOs

Info

ID:	165727
PubChem CID:	74587814
Reduced:	FO3N4C26H36 (1)
Stoich.:	AB3C4D26E36 (1)
Weight, g/mol:	470.269319
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	1.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752531
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CC[NH+]2CCCC(C2C1)CNC(=O)CCC(=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

DOS

IR

Vibrations