Geometry & MOs

Info

ID:	370711
PubChem CID:	127339962
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	73.56
Dipole, Da:	7.42
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations