Geometry & MOs

Info

ID:	18467
PubChem CID:	541364
Reduced:	NO2C28H43 (1)
Stoich.:	AB2C28D43 (1)
Weight, g/mol:	425.32938
ΔH_f, kcal/mol:	-108.91
Dipole, Da:	2.91
IP(EA), eV:	-9.09(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(octadecylamino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC1=CC(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations