Geometry & MOs

Info

ID:	371408
PubChem CID:	127346278
Reduced:	NSO2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	5.84
IP(EA), eV:	-8.7(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)CC2CCOC2

DOS

IR

Vibrations