Geometry & MOs

Info

ID:	134262
PubChem CID:	51670985
Reduced:	N3C13H29 (1)
Stoich.:	A3B13C29 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-9.75
Dipole, Da:	2.59
IP(EA), eV:	-8.58(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-azaniumylethyl)-3-(4-methylphenyl)-1,2-oxazol-5-olate

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C[C@H]2CCCCC[NH2+]2

DOS

IR

Vibrations