Geometry & MOs

Info

ID:	29395
PubChem CID:	833518
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	17.71
Dipole, Da:	2.06
IP(EA), eV:	-9.85(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenoxy)-1-(3-methylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations