Geometry & MOs

Info

ID:	267781
PubChem CID:	103589091
Reduced:	BrOSN3H10C13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	315.99597
ΔH_f, kcal/mol:	44.76
Dipole, Da:	3.07
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,4-benzotriazin-3-yloxy)-5-bromoaniline

Drug info:

PubChemData

Smile

CC1=CSC2=C1N=CN=C2OC3=CC(=CC(=C3)N)Br

DOS

IR

Vibrations