Geometry & MOs

Info

ID:	220776
PubChem CID:	85239381
Reduced:	N2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	104.1
Dipole, Da:	2.68
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-3-hydroxy-2-(hydroxymethyl)-6-(methylhydrazinylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1C(C(NN1)N)N2C3=CC=CC=C3N=N2

DOS

IR

Vibrations