Geometry & MOs

Info

ID:	418852
PubChem CID:	135106957
Reduced:	FSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	343.248444
ΔH_f, kcal/mol:	-208.52
Dipole, Da:	6.89
IP(EA), eV:	-9.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations