Geometry & MOs

Info

ID:	255300
PubChem CID:	103131233
Reduced:	SN3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	272.109568
ΔH_f, kcal/mol:	26.79
Dipole, Da:	5.57
IP(EA), eV:	-8.17(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-3-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1CCCCS1)C2=NN(C=C2)C

DOS

IR

Vibrations