Geometry & MOs

Info

ID:	11292
PubChem CID:	113337
Reduced:	N5H7O7C10 (1)
Stoich.:	A5B7C7D10 (1)
Weight, g/mol:	309.034548
ΔH_f, kcal/mol:	34.06
Dipole, Da:	2.27
IP(EA), eV:	-10.09(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-4-nitro-2-(4-nitrophenyl)pyrazol-3-yl] nitrate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[N+](=O)[O-])O[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations