Geometry & MOs

Info

ID:	253133
PubChem CID:	103116253
Reduced:	ON6C9H12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	289.077516
ΔH_f, kcal/mol:	46.46
Dipole, Da:	5.29
IP(EA), eV:	-8.39(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4,6-difluorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)NC(=O)C2=NN(C=C2)C)N

DOS

IR

Vibrations