Geometry & MOs

Info

ID:	376713
PubChem CID:	134222738
Reduced:	OC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	498.27949
ΔH_f, kcal/mol:	65.64
Dipole, Da:	1.32
IP(EA), eV:	-9.41(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-tert-butyl-6-(4-fluoro-1H-indol-2-yl)pyrimidin-4-yl]-2-methylpropan-2-yl]-1-ethyl-5-methyl-3H-indol-2-one

Drug info:

PubChemData

Smile

CC(C)(C#CC#C)OCC1=CC=CC=C1

DOS

IR

Vibrations