Geometry & MOs

Info

ID:	59813
PubChem CID:	24898135
Reduced:	OSN6C19H20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	514.224341
ΔH_f, kcal/mol:	80.19
Dipole, Da:	4.82
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[1-(3,5-dimethylphenyl)indol-4-yl]amino]methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-4-fluorophenol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)SCCCOC2=CN=CC=C2)NC3=NNC(=C3)C

DOS

IR

Vibrations