Geometry & MOs

Info

ID:	139956
PubChem CID:	52621398
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	1.47
Dipole, Da:	3.14
IP(EA), eV:	-8.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1CCCOC3=CC=C(C=C3)C#N

DOS

IR

Vibrations