Geometry & MOs

Info

ID:	291591
PubChem CID:	113446222
Reduced:	BrFON3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	20.17
Dipole, Da:	2.37
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide

Drug info:

PubChemData

Smile

CC1=NN2C=CN=C(C2=C1)OC3=CC(=C(C=C3)Br)F

DOS

IR

Vibrations