Geometry & MOs

Info

ID:	248221
PubChem CID:	103079788
Reduced:	ON3C4H5 (2)
Stoich.:	AB3C4D5 (2)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	76.38
Dipole, Da:	7.94
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(3-methylpentan-2-yl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC=NN2)[N+](=O)[O-]

DOS

IR

Vibrations