Geometry & MOs

Info

ID:	436765
PubChem CID:	135211265
Reduced:	BrN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	498.09766
ΔH_f, kcal/mol:	-28.47
Dipole, Da:	6.59
IP(EA), eV:	-9.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5,6,6-trimethyl-8-(1-methylsulfanylpiperidin-4-yl)oxybenzo[b]carbazol-11-one

Drug info:

PubChemData

Smile

COC1CC2=C(C=C1Br)C(=O)C3=C(C24CCOCC4)NC5=C3C=CC(=C5)C#N

DOS

IR

Vibrations