Geometry & MOs

Info

ID:	318131
PubChem CID:	126649066
Reduced:	OF2N3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	210.040483
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	3.83
IP(EA), eV:	-9.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(trifluoromethyl)indole-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=NC(=N2)C(F)F)CO

DOS

IR

Vibrations