Geometry & MOs

Info

ID:	353212
PubChem CID:	127284392
Reduced:	N4O5C18H24 (1)
Stoich.:	A4B5C18D24 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-189.75
Dipole, Da:	2.38
IP(EA), eV:	-9.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3,4-dimethylthieno[2,3-b]pyridine-2-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

COCCN1CC(CC1=O)C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations