Geometry & MOs

Info

ID:	8578
PubChem CID:	79255
Reduced:	O2N3C4H5 (1)
Stoich.:	A2B3C4D5 (1)
Weight, g/mol:	127.038176
ΔH_f, kcal/mol:	25.0
Dipole, Da:	5.87
IP(EA), eV:	-10.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-nitro-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(C=NN1)[N+](=O)[O-]

DOS

IR

Vibrations