Geometry & MOs

Info

ID:	401113
PubChem CID:	135050200
Reduced:	NPO4C23H42 (1)
Stoich.:	ABC4D23E42 (1)
Weight, g/mol:	332.0024
ΔH_f, kcal/mol:	-261.05
Dipole, Da:	2.28
IP(EA), eV:	-8.67(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-olate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C(C1=CC=CC=C1)N(C(C)C)C(C)C)C(C(C)(C)C)O)OCC

DOS

IR

Vibrations