Geometry & MOs

Info

ID:	291579
PubChem CID:	113446036
Reduced:	BrClOSN2H6C11 (1)
Stoich.:	ABCDE2F6G11 (1)
Weight, g/mol:	296.01604
ΔH_f, kcal/mol:	44.42
Dipole, Da:	3.71
IP(EA), eV:	-8.91(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)C2=NC3=CC(=CC(=C3O2)N)Br

DOS

IR

Vibrations