Geometry & MOs

Info

ID:	424169
PubChem CID:	135121600
Reduced:	O3N4H16C25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	478.028962
ΔH_f, kcal/mol:	106.66
Dipole, Da:	2.4
IP(EA), eV:	-9.3(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-azido-2-N,4-N-bis(2,2,2-trinitroethyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)N3C4=CC=CC=C4N=C3/N=C/C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations