Geometry & MOs

Info

ID:	374119
PubChem CID:	131323950
Reduced:	ClOF3N3H5C8 (1)
Stoich.:	ABC3D3E5F8 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	6.67
IP(EA), eV:	-10.29(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-1-methyl-2,3-dihydroindol-5-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)OC(F)(F)F)C#N)Cl)CN

DOS

IR

Vibrations