Geometry & MOs

Info

ID:	194061
PubChem CID:	78475309
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	305.141579
ΔH_f, kcal/mol:	-142.67
Dipole, Da:	3.9
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-3-iminonaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC(=CC=C3)OC)C

DOS

IR

Vibrations