Geometry & MOs

Info

ID:	308311
PubChem CID:	125326090
Reduced:	N2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	243.050713
ΔH_f, kcal/mol:	111.97
Dipole, Da:	4.72
IP(EA), eV:	-9.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(trifluoromethyl)-2H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2C=C3C=CC=NC3=N2

DOS

IR

Vibrations