Geometry & MOs

Info

ID:	245846
PubChem CID:	103024221
Reduced:	NO2C17H33 (1)
Stoich.:	AB2C17D33 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	2.12
IP(EA), eV:	-8.56(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CCN1CCCCC1C2CCCCC2O)OC

DOS

IR

Vibrations