Geometry & MOs

Info

ID:	245745
PubChem CID:	103023187
Reduced:	FO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	330.09429
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	1.58
IP(EA), eV:	-9.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,5-diethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)CC(C)(C)OC)F

DOS

IR

Vibrations