Geometry & MOs

Info

ID:	436771
PubChem CID:	135211308
Reduced:	BrNO6C27H30 (1)
Stoich.:	ABC6D27E30 (1)
Weight, g/mol:	564.16237
ΔH_f, kcal/mol:	-236.77
Dipole, Da:	9.71
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5,6,6-trimethyl-8-[[8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-4-yl]oxy]benzo[b]carbazol-11-one

Drug info:

PubChemData

Smile

CC(=O)OCC[C@@H](COC1=CC2=C(C=C1)C(=O)C3=C(C2(C)C)NC4=C3C=CC(=C4)Br)OC(C)(C)O

DOS

IR

Vibrations