Geometry & MOs

Info

ID:	187944
PubChem CID:	77645944
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	420.137589
ΔH_f, kcal/mol:	61.73
Dipole, Da:	2.35
IP(EA), eV:	-7.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-chloro-4-[2-[(2,4-difluorophenyl)methoxy]propan-2-yl]-6-oxo-1,3-diazinan-2-yl]oxy]ethylurea

Drug info:

PubChemData

Smile

C1C(=CC=CN1C2=CC=CC=C2)C3C(=O)NNN3

DOS

IR

Vibrations