Geometry & MOs

Info

ID:	313009
PubChem CID:	126610762
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	288.090804
ΔH_f, kcal/mol:	23.22
Dipole, Da:	2.58
IP(EA), eV:	-8.41(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCC(C1=C(N=CC=C1)N(C)N)C(C)C

DOS

IR

Vibrations