Geometry & MOs

Info

ID:	183254
PubChem CID:	76998851
Reduced:	FO2N5C6H8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	255.113153
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	1.81
IP(EA), eV:	-10.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CCN=[N+]=[N-])F

DOS

IR

Vibrations