Geometry & MOs

Info

ID:	48614
PubChem CID:	11109960
Reduced:	ClF3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-240.96
Dipole, Da:	6.05
IP(EA), eV:	-9.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyanilino)-3-methyl-3-(1-methylindol-3-yl)butanenitrile

Drug info:

PubChemData

Smile

C1C(OC(C2=C1C=CC=C2Cl)(C(F)(F)F)O)C3=CC=CO3

DOS

IR

Vibrations