Geometry & MOs

Info

ID:	287343
PubChem CID:	104238011
Reduced:	Cl2N2O2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	326.058883
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	4.2
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[(4-chloro-5-ethyl-2-methylpyrazol-3-yl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Cl)COC2=C(C=C(C=C2)C(=O)C)Cl

DOS

IR

Vibrations