Geometry & MOs

Info

ID:	291594
PubChem CID:	113446348
Reduced:	F3N4C10H11 (1)
Stoich.:	A3B4C10D11 (1)
Weight, g/mol:	258.093918
ΔH_f, kcal/mol:	-103.81
Dipole, Da:	2.54
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine

Drug info:

PubChemData

Smile

CC1=NN2C=CN=C(C2=C1)NCCC(F)(F)F

DOS

IR

Vibrations