Geometry & MOs

Info

ID:	404261
PubChem CID:	135065626
Reduced:	SN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	205.984282
ΔH_f, kcal/mol:	92.56
Dipole, Da:	3.71
IP(EA), eV:	-8.34(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-methyl-3,4-dinitropyrazole

Drug info:

PubChemData

Smile

C=CCC1=C(C=NN1CC=C)SC2=CC=CC=C2

DOS

IR

Vibrations