Geometry & MOs

Info

ID:	199784
PubChem CID:	79295061
Reduced:	ClSN4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	280.145474
ΔH_f, kcal/mol:	85.73
Dipole, Da:	4.99
IP(EA), eV:	-8.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C2=C1NC(=S)N2CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations