Geometry & MOs

Info

ID:	141866
PubChem CID:	52942733
Reduced:	FO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-131.1
Dipole, Da:	7.16
IP(EA), eV:	-9.13(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3Z,12aS)-3-[amino(hydroxy)methylidene]-1-(dimethylamino)-4,6,7-trihydroxy-12,12a-dihydro-1H-tetracene-2,5-dione

Drug info:

PubChemData

Smile

CC(C)CCC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC=C(C=C3)F)OC

DOS

IR

Vibrations