Geometry & MOs

Info

ID:	291581
PubChem CID:	113446042
Reduced:	BrON4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	303.00072
ΔH_f, kcal/mol:	51.08
Dipole, Da:	2.97
IP(EA), eV:	-8.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations