Geometry & MOs

Info

ID:	253111
PubChem CID:	103116104
Reduced:	OF2N5H9C13 (1)
Stoich.:	AB2C5D9E13 (1)
Weight, g/mol:	267.11201
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	2.61
IP(EA), eV:	-8.66(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(=O)NC3=C(C=C(C(=C3)N)F)F)C=N1

DOS

IR

Vibrations