Geometry & MOs

Info

ID:	55331
PubChem CID:	17390060
Reduced:	ClO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	2.02
IP(EA), eV:	-9.63(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminopropyl)-3-pyridin-4-yl-2H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=C(C(=O)ON2)CCCN.Cl

DOS

IR

Vibrations