Geometry & MOs

Info

ID:	294137
PubChem CID:	117427528
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.038961
ΔH_f, kcal/mol:	-89.31
Dipole, Da:	5.77
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-4-methoxy-5-methylsulfanylphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2CCCN2)Cl)C=O)OC

DOS

IR

Vibrations