Geometry & MOs

Info

ID:	331835
PubChem CID:	127250121
Reduced:	OSF3N3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-125.5
Dipole, Da:	4.92
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations