Geometry & MOs

Info

ID:	320826
PubChem CID:	126663791
Reduced:	BrO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	488.26865
ΔH_f, kcal/mol:	-81.43
Dipole, Da:	1.7
IP(EA), eV:	-9.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4aS,11aR,12aS)-9-(diethylaminomethyl)-1-(dimethylamino)-10-fluoro-2,6,7-trihydroxy-4a-methoxy-3-methyl-1,4,11,11a,12,12a-hexahydrotetracen-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C)C(=O)OC2=CC=CC=C2)OC)Br

DOS

IR

Vibrations