Geometry & MOs

Info

ID:	222712
PubChem CID:	85332063
Reduced:	BrO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	483.164165
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	4.7
IP(EA), eV:	-8.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-amino-4-(dimethylamino)-8-ethynyl-5,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(NC(=C2C1)C=C3C4=C(C=CC(=C4)Br)NC3=O)C(=O)NCCN5CCCC5

DOS

IR

Vibrations