Geometry & MOs

Info

ID:	424182
PubChem CID:	135121638
Reduced:	O4N7H17C24 (1)
Stoich.:	A4B7C17D24 (1)
Weight, g/mol:	510.018791
ΔH_f, kcal/mol:	78.93
Dipole, Da:	5.52
IP(EA), eV:	-9.3(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-azido-2,4-bis(2,2,2-trinitroethyl)-2H-1,3,5-triazin-1-yl]nitramide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)N4C=NC=N4)OCC(=O)NC5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations