Geometry & MOs

Info

ID:	253401
PubChem CID:	103118194
Reduced:	BrFO2N4C13H14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	251.08071
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	3.17
IP(EA), eV:	-9.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazolo[1,5-a]pyrazin-3-yl-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=C(C=C(C=C2)F)Br)CCN

DOS

IR

Vibrations