Geometry & MOs

Info

ID:	355644
PubChem CID:	127289402
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	8.55
IP(EA), eV:	-9.02(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations