Geometry & MOs

Info

ID:	186857
PubChem CID:	77496093
Reduced:	O3N7C28H31 (1)
Stoich.:	A3B7C28D31 (1)
Weight, g/mol:	530.241687
ΔH_f, kcal/mol:	-5.17
Dipole, Da:	9.23
IP(EA), eV:	-8.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-tert-butylphenyl)-4-(dimethylamino)-3,10,11-trihydroxy-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C2=CC(=C3NC4CCC(CC4N3)C(=O)NC5CC(NN5)C6=CN=CC=C6)C(=O)C=C2

DOS

IR

Vibrations