Geometry & MOs

Info

ID:	217215
PubChem CID:	85087446
Reduced:	LiNSiO2C19H34 (1)
Stoich.:	ABCD2E19F34 (1)
Weight, g/mol:	344.039786
ΔH_f, kcal/mol:	-91.56
Dipole, Da:	13.06
IP(EA), eV:	-5.6(0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-(1,3-dimethyl-6-nitro-2,4,5-trioxo-4a,6-dihydropyrido[2,3-d]pyrimidin-1-ium-7-yl)acetamide

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)[Si](C)(C)OCCC1CCCC(C1=COC)C[CH-]C#N

DOS

IR

Vibrations