Geometry & MOs

Info

ID:	409913
PubChem CID:	135082700
Reduced:	NSi2C9H22 (1)
Stoich.:	AB2C9D22 (1)
Weight, g/mol:	253.085127
ΔH_f, kcal/mol:	-71.55
Dipole, Da:	0.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893837
Charge, e:	0

Chem-info

IUPAC name:

5-isoquinolin-2-ium-2-yl-1-methyl-6-oxopyrimidin-4-olate

Drug info:

PubChemData

Smile

C[Si](C)(C)N([CH]C=C)[Si](C)(C)C

DOS

IR

Vibrations