Geometry & MOs

Info

ID:	210635
PubChem CID:	80832195
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	294.144038
ΔH_f, kcal/mol:	-68.34
Dipole, Da:	4.49
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CO)NC2=CC=CC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations