Geometry & MOs

Info

ID:	190829
PubChem CID:	78065848
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	5.56
IP(EA), eV:	-9.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2NCNC(=O)N2

DOS

IR

Vibrations