Geometry & MOs

Info

ID:	346367
PubChem CID:	127270871
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	38.55
Dipole, Da:	5.72
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3C4=CC=CC=C4)C)NN=C2

DOS

IR

Vibrations