Geometry & MOs

Info

ID:	150772
PubChem CID:	53790468
Reduced:	Cl2N2O3C23H24 (1)
Stoich.:	A2B2C3D23E24 (1)
Weight, g/mol:	273.048046
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	1.98
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]aniline

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@H](C1)OC2=C(C=C(C=C2)Cl)Cl)COC(CN3C=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations