Geometry & MOs

Info

ID:	317718
PubChem CID:	126645367
Reduced:	F3O4N5H10C16 (1)
Stoich.:	A3B4C5D10E16 (1)
Weight, g/mol:	376.985
ΔH_f, kcal/mol:	-130.16
Dipole, Da:	4.76
IP(EA), eV:	-9.39(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2,2-dimethyl-4,7-bis(trifluoromethyl)-3H-1,4-benzoxazine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations