Geometry & MOs

Info

ID:	292811
PubChem CID:	117359233
Reduced:	O2N5H9C11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	243.087098
ΔH_f, kcal/mol:	38.2
Dipole, Da:	3.31
IP(EA), eV:	-9.41(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(trifluoromethyl)-1H-indol-5-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=NOC(=N3)CN)N=CC(=O)N2

DOS

IR

Vibrations