Geometry & MOs

Info

ID:	203927
PubChem CID:	79891081
Reduced:	BrFON3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	4.05
IP(EA), eV:	-8.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-methoxypropyl)-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)OC(=N2)NC3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations