Geometry & MOs

Info

ID:	285195
PubChem CID:	104098581
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	262.154209
ΔH_f, kcal/mol:	84.71
Dipole, Da:	5.72
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-3-[2-(triazol-1-yl)ethylamino]pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NCCN2C=CN=N2

DOS

IR

Vibrations