Geometry & MOs

Info

ID:	210025
PubChem CID:	80751662
Reduced:	SN2O7C10H14 (1)
Stoich.:	AB2C7D10E14 (1)
Weight, g/mol:	211.031253
ΔH_f, kcal/mol:	-250.12
Dipole, Da:	6.52
IP(EA), eV:	-10.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloropyrazol-1-yl)-5-fluoroaniline

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(O1)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations