Geometry & MOs

Info

ID:	248210
PubChem CID:	103079731
Reduced:	SN4O4C7H12 (1)
Stoich.:	AB4C4D7E12 (1)
Weight, g/mol:	268.164774
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	4.73
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCS(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations