Geometry & MOs

Info

ID:	366675
PubChem CID:	127320204
Reduced:	O2N8C17H24 (1)
Stoich.:	A2B8C17D24 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	0.67
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations