Geometry & MOs

Info

ID:	46224
PubChem CID:	10523370
Reduced:	BrO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	373.116152
ΔH_f, kcal/mol:	-207.77
Dipole, Da:	3.7
IP(EA), eV:	-9.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-hydroxyethyl)amino]-1,3,8-trihydroxy-6-methylanthracene-9,10-dione

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CBr)O)OCC3=CC=CC=C3)C

DOS

IR

Vibrations