Geometry & MOs

Info

ID:	184042
PubChem CID:	77103729
Reduced:	OSN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	342.05656
ΔH_f, kcal/mol:	49.78
Dipole, Da:	2.42
IP(EA), eV:	-8.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-amino-3-[(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methyl]-1-methyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(=NO)C3=CC=CC=C32

DOS

IR

Vibrations