Geometry & MOs

Info

ID:	437171
PubChem CID:	135215472
Reduced:	SO5N6C29H32 (1)
Stoich.:	AB5C6D29E32 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	5.54
IP(EA), eV:	-8.78(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[ethyl(methyl)amino]propylamino]-4-(methylamino)anthracene-9,10-dione

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N/N=C/3\C4=C(C=CC3=O)C=C(C=C4)S(=O)(=O)N(CCO)CCO

DOS

IR

Vibrations