Geometry & MOs

Info

ID:	185906
PubChem CID:	77367776
Reduced:	Cl2N3O3C25H29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	498.18496
ΔH_f, kcal/mol:	-102.04
Dipole, Da:	3.77
IP(EA), eV:	-8.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;trihydrate

Drug info:

PubChemData

Smile

CCCCC1(NC(=C(N1C2=CC=CC=C2Cl)CC(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl)C

DOS

IR

Vibrations