Geometry & MOs

Info

ID:	127360
PubChem CID:	50999688
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	278.065119
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	5.47
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-1-[2-(3-nitrophenoxy)ethyl]pyrazole

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1C=C(N2CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations