Geometry & MOs

Info

ID:	248228
PubChem CID:	103079819
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	45.89
Dipole, Da:	6.15
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCCC(C1=CC=CS1)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations