Geometry & MOs

Info

ID:	253407
PubChem CID:	103118201
Reduced:	F2O2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	251.08071
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	1.83
IP(EA), eV:	-10.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazolo[1,5-a]pyrazin-3-yl-1,3-benzoxazol-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations