Geometry & MOs

Info

ID:	198168
PubChem CID:	79060053
Reduced:	BrFNOC17H23 (1)
Stoich.:	ABCDE17F23 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	3.13
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)CC1=C(C=CC(=C1)F)Br)N2CCCCC2

DOS

IR

Vibrations