Geometry & MOs

Info

ID:	325072
PubChem CID:	126680008
Reduced:	FN3O9C33H46 (1)
Stoich.:	AB3C9D33E46 (1)
Weight, g/mol:	298.9461
ΔH_f, kcal/mol:	-468.66
Dipole, Da:	3.11
IP(EA), eV:	-9.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(chloromethyl)-4H-[1,2,4]triazolo[5,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)F)OC2=CC(=NC(=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations