Geometry & MOs

Info

ID:	291580
PubChem CID:	113446039
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	306.01162
ΔH_f, kcal/mol:	-39.99
Dipole, Da:	3.16
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(CCO1)C2=NC3=CC(=CC(=C3O2)N)Br

DOS

IR

Vibrations