Geometry & MOs

Info

ID:	294568
PubChem CID:	117471097
Reduced:	ClNO2F3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	291.038624
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	3.75
IP(EA), eV:	-9.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(F)(F)F)C2(CC2)N=C=O

DOS

IR

Vibrations