Geometry & MOs

Info

ID:	372949
PubChem CID:	131307376
Reduced:	ClNF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-142.81
Dipole, Da:	3.85
IP(EA), eV:	-9.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(3-methyl-1H-indol-5-yl)propanenitrile

Drug info:

PubChemData

Smile

C1CC(NC1)C2=CC(=C(C=C2F)C(F)F)Cl

DOS

IR

Vibrations