Geometry & MOs

Info

ID:	134263
PubChem CID:	51670986
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	142.074228
ΔH_f, kcal/mol:	-13.99
Dipole, Da:	9.89
IP(EA), eV:	-8.53(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2CC[NH3+])[O-]

DOS

IR

Vibrations