Geometry & MOs

Info

ID:	287341
PubChem CID:	104237984
Reduced:	NOCl3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	312.043233
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	5.08
IP(EA), eV:	-9.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[(4-chloro-2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC/C(=C/Cl)/Cl)Cl)N

DOS

IR

Vibrations