Geometry & MOs

Info

ID:	180536
PubChem CID:	76649647
Reduced:	F2O3N4C22H30 (1)
Stoich.:	A2B3C4D22E30 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-210.77
Dipole, Da:	4.5
IP(EA), eV:	-8.89(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-phenyl-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1NC(=O)N(C(=O)N1C)CC(CN2C3CCC2CC(C3)OCC4=CC=C(C=C4)F)F

DOS

IR

Vibrations