Geometry & MOs

Info

ID:	85694
PubChem CID:	49878273
Reduced:	N4O4C15H16 (1)
Stoich.:	A4B4C15D16 (1)
Weight, g/mol:	355.055283
ΔH_f, kcal/mol:	-108.13
Dipole, Da:	3.18
IP(EA), eV:	-9.54(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dinitrophenyl)-3-(3-nitrophenyl)-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N/N=C/C2=CC(=O)NC(=O)N2

DOS

IR

Vibrations