Geometry & MOs

Info

ID:	387356
PubChem CID:	134985065
Reduced:	N2H11C15 (1)
Stoich.:	A2B11C15 (1)
Weight, g/mol:	510.036732
ΔH_f, kcal/mol:	117.82
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.253420
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[4-[methyl(nitro)amino]-3,5-dinitrobenzoyl]-2,6-dinitrophenyl]nitramide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=C1[N+]#N)C3=CC=CC=C3

DOS

IR

Vibrations