Geometry & MOs

Info

ID:	291582
PubChem CID:	113446045
Reduced:	BrON3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	307.9619
ΔH_f, kcal/mol:	47.08
Dipole, Da:	4.16
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(5-methylthiophen-2-yl)-1,3-benzoxazol-7-amine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C2=NC3=CC(=CC(=C3O2)N)Br

DOS

IR

Vibrations