Geometry & MOs

Info

ID:	248277
PubChem CID:	103080176
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	221.002575
ΔH_f, kcal/mol:	7.03
Dipole, Da:	6.32
IP(EA), eV:	-9.09(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethylsulfanyl)-1-methyl-4-nitropyrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations