Geometry & MOs

Info

ID:	357684
PubChem CID:	127294358
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	-44.0
Dipole, Da:	6.49
IP(EA), eV:	-9.01(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations