Geometry & MOs

Info

ID:	410203
PubChem CID:	135082994
Reduced:	BNSi4C13H37 (1)
Stoich.:	ABC4D13E37 (1)
Weight, g/mol:	424.084141
ΔH_f, kcal/mol:	-109.4
Dipole, Da:	0.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755113
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

B(=NC(C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C

DOS

IR

Vibrations