Geometry & MOs

Info

ID:	406739
PubChem CID:	135078505
Reduced:	N5O10H14C20 (1)
Stoich.:	A5B10C14D20 (1)
Weight, g/mol:	345.06691
ΔH_f, kcal/mol:	-85.2
Dipole, Da:	2.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798559
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methoxy-6-(trinitromethyl)-1,3,5-triazin-2-yl]morpholine

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OC2=NC(=C([N+](=O)[O-])[N+](=O)[O-])N=C([N-]2)OC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations