Geometry & MOs

Info

ID:	81898
PubChem CID:	49855325
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	392.065377
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	3.22
IP(EA), eV:	-8.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[2-methoxy-3-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC2=NCCO2

DOS

IR

Vibrations