Geometry & MOs

Info

ID:	315153
PubChem CID:	126624650
Reduced:	O3N8C38H62 (1)
Stoich.:	A3B8C38D62 (1)
Weight, g/mol:	429.194008
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	9.52
IP(EA), eV:	-8.79(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-[2-(2-methylpropyl)phenoxy]-1-(propan-2-ylamino)anthracene-9,10-dione

Drug info:

PubChemData

Smile

CCCCNC(CC)CN1C(=O)C(=C(/C(=N/NC2=CC=CC(=C2)C(=O)N(CC(CC)C(CCC)N)CC(CC)C(CCC)N)/C1=O)C)C#N

DOS

IR

Vibrations