Geometry & MOs

Info

ID:	248499
PubChem CID:	103082132
Reduced:	NOF4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	-242.02
Dipole, Da:	5.33
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methoxycyclopentyl)amino]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=C(C=C(C=C2)C(F)(F)F)F

DOS

IR

Vibrations