Geometry & MOs

Info

ID:	55957
PubChem CID:	17397836
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	278.117904
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	1.32
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluorophenyl)methyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)NC(=O)C2=CC3=C(S2)CCCCCC3)C

DOS

IR

Vibrations