Geometry & MOs

Info

ID:	204668
PubChem CID:	79995489
Reduced:	BrOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	45.05
Dipole, Da:	2.15
IP(EA), eV:	-8.53(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-1,3-benzoxazol-2-yl)methyl-propan-2-ylamino]ethanol

Drug info:

PubChemData

Smile

CN(CC1=CC(=CS1)Br)CC2=NC3=C(O2)C=C(C=C3)N

DOS

IR

Vibrations