Geometry & MOs

Info

ID:	353208
PubChem CID:	127284388
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	-128.1
Dipole, Da:	2.23
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations