Geometry & MOs

Info

ID:	409398
PubChem CID:	135082179
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	289.035315
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	4.44
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium;perchlorate

Drug info:

PubChemData

Smile

CC1=CC(=[NH+]O1)COC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations