Geometry & MOs

Info

ID:	21104
PubChem CID:	587207
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	259.077933
ΔH_f, kcal/mol:	82.7
Dipole, Da:	2.78
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-phenyl-6-thiophen-2-yl-5,6-dihydro-1,2,4,5-oxatriazine

Drug info:

PubChemData

Smile

CN1C(=NOC(N1)C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations