Geometry & MOs

Info

ID:	294300
PubChem CID:	117452079
Reduced:	ClNO2F3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	281.093104
ΔH_f, kcal/mol:	-223.97
Dipole, Da:	4.24
IP(EA), eV:	-9.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-3,6-dimethoxy-4-methylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(F)(F)F)Cl)C(=O)CCN

DOS

IR

Vibrations