Geometry & MOs

Info

ID:	353237
PubChem CID:	127284417
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	1.9
IP(EA), eV:	-9.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations