Geometry & MOs

Info

ID:	191907
PubChem CID:	78199915
Reduced:	SO2N5C7H7 (1)
Stoich.:	AB2C5D7E7 (1)
Weight, g/mol:	248.102174
ΔH_f, kcal/mol:	13.81
Dipole, Da:	3.21
IP(EA), eV:	-9.74(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-4-nitropyrazolidin-3-yl)benzotriazole

Drug info:

PubChemData

Smile

CSC1=NC(=O)C2=C(N1)N=NC2C(=O)N

DOS

IR

Vibrations