Geometry & MOs

Info

ID:	318400
PubChem CID:	126651119
Reduced:	FCl2O3N8H33C41 (1)
Stoich.:	AB2C3D8E33F41 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	112.37
Dipole, Da:	13.07
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-4-hydroxybenzohydrazide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C(=C1)Cl)C#N)OCC2=C3C=CC=NC3=NN2.C1CC1OC2=CC(=C(C=C2)F)C3=C(C=C(C(=C3)C#N)Cl)OCC4=C5C=CC=NC5=NN4

DOS

IR

Vibrations