Geometry & MOs

Info

ID:	18950
PubChem CID:	551556
Reduced:	BrON3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	269.01637
ΔH_f, kcal/mol:	44.93
Dipole, Da:	3.38
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine

Drug info:

PubChemData

Smile

CC1NN(C(=NO1)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations