Geometry & MOs

Info

ID:	184975
PubChem CID:	77236463
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	462.231871
ΔH_f, kcal/mol:	-105.93
Dipole, Da:	2.64
IP(EA), eV:	-9.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-[2-[4-(2-methylpyridin-4-yl)phenyl]ethyl]-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)CCC3=CC=CC=C3)CCN4C(=O)C5=CC=CC=C5N=N4)C

DOS

IR

Vibrations