Geometry & MOs

Info

ID:	28120
PubChem CID:	825712
Reduced:	N2F3O4H9C15 (1)
Stoich.:	A2B3C4D9E15 (1)
Weight, g/mol:	347.05209
ΔH_f, kcal/mol:	-155.94
Dipole, Da:	4.37
IP(EA), eV:	-9.68(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylphenol

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations