Geometry & MOs

Info

ID:	271069
PubChem CID:	103642651
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	239.138225
ΔH_f, kcal/mol:	94.57
Dipole, Da:	5.58
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[cyclopropyl(methyl)amino]propylamino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC(CNC1=NC=CN=C1C#N)N(C)C2CC2

DOS

IR

Vibrations