Geometry & MOs

Info

ID:	408844
PubChem CID:	135081614
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	100.027277
ΔH_f, kcal/mol:	-71.56
Dipole, Da:	2.24
IP(EA), eV:	-7.7(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-azaniumyl-1,2-oxazol-3-olate

Drug info:

PubChemData

Smile

CCC(CC)([C@@H]1CCCN1N2CCC=C2O)OC

DOS

IR

Vibrations