Geometry & MOs

Info

ID:	148752
PubChem CID:	53788421
Reduced:	PSiN5O5C19H36 (1)
Stoich.:	ABC5D5E19F36 (1)
Weight, g/mol:	128.094963
ΔH_f, kcal/mol:	-259.36
Dipole, Da:	1.46
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;2-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CCOP(=O)(CCCCON1C=NC2=C(N=C(N=C21)O[Si](C)(C)C(C)(C)C)N)OCC

DOS

IR

Vibrations