Geometry & MOs

Info

ID:	245787
PubChem CID:	103023939
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	249.108897
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	4.51
IP(EA), eV:	-9.41(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1,1,1-trifluoro-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2CCC(CC2)CN

DOS

IR

Vibrations