Geometry & MOs

Info

ID:	183286
PubChem CID:	77001492
Reduced:	N2O2F3C9H11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-243.26
Dipole, Da:	1.78
IP(EA), eV:	-10.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCC1C(=O)NC(=NC1=O)CC(F)(F)F

DOS

IR

Vibrations