Geometry & MOs

Info

ID:	248198
PubChem CID:	103079631
Reduced:	ClSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	314.033731
ΔH_f, kcal/mol:	56.2
Dipole, Da:	5.2
IP(EA), eV:	-8.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SCC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations