Geometry & MOs

Info

ID:	404785
PubChem CID:	135070918
Reduced:	O3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	523.09944
ΔH_f, kcal/mol:	-228.38
Dipole, Da:	3.84
IP(EA), eV:	-8.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-bromo-4,5-dimethoxyphenyl)-2-oxo-3-phenylindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1(OC2=C(C3=C(C=C(C(=C3O2)O)C(C)(C)C)O)C(=O)O1)C

DOS

IR

Vibrations