Geometry & MOs

Info

ID:	190828
PubChem CID:	78065847
Reduced:	FON3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	5.38
IP(EA), eV:	-9.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylphenyl)-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

C1NC(NC(=O)N1)C2=CC=C(C=C2)F

DOS

IR

Vibrations