Geometry & MOs

Info

ID:	199813
PubChem CID:	79299995
Reduced:	SN6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	107.67
Dipole, Da:	4.22
IP(EA), eV:	-8.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1N=C(N2C(CC)C3=NC=CS3)N)C

DOS

IR

Vibrations