Geometry & MOs

Info

ID:	183620
PubChem CID:	77045748
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	286.154209
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	5.28
IP(EA), eV:	-10.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC=NN1)C(=O)C=CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations