Geometry & MOs

Info

ID:	52383
PubChem CID:	12015229
Reduced:	N2O5H14C21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	387.121906
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	8.44
IP(EA), eV:	-8.62(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dimethylamino)anilino]-5-nitroanthracene-9,10-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations