Geometry & MOs

Info

ID:	441686
PubChem CID:	135240529
Reduced:	ON4C6H10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	14.15
Dipole, Da:	2.8
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)OC)NN

DOS

IR

Vibrations