Geometry & MOs

Info

ID:	253069
PubChem CID:	103115841
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	285.102588
ΔH_f, kcal/mol:	52.92
Dipole, Da:	5.56
IP(EA), eV:	-8.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)-4-fluorophenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations