Geometry & MOs

Info

ID:	18321
PubChem CID:	539621
Reduced:	O3N8C16H22 (1)
Stoich.:	A3B8C16D22 (1)
Weight, g/mol:	374.181487
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	5.09
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-5-methyltriazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C(=O)C

DOS

IR

Vibrations