Geometry & MOs

Info

ID:	313006
PubChem CID:	126610738
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	214.071783
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	2.72
IP(EA), eV:	-7.8(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2[C@@H](CC3=CC=CC=C3N2[C@@H]1C)C

DOS

IR

Vibrations