Geometry & MOs

Info

ID:	361342
PubChem CID:	127302537
Reduced:	FSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	4.13
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations