Geometry & MOs

Info

ID:	22994
PubChem CID:	600742
Reduced:	BrO5H19C22 (1)
Stoich.:	AB5C19D22 (1)
Weight, g/mol:	442.04159
ΔH_f, kcal/mol:	-157.44
Dipole, Da:	2.76
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(6-bromophenanthrene-9-carbonyl)propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)C(=O)OCC

DOS

IR

Vibrations