Geometry & MOs

Info

ID:	343419
PubChem CID:	127266592
Reduced:	O2F3N4H13C14 (1)
Stoich.:	A2B3C4D13E14 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	-181.33
Dipole, Da:	3.86
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-5-(methylamino)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)OC(F)(F)F)N(C1)C(=O)CC3=NC=NN3

DOS

IR

Vibrations