Geometry & MOs

Info

ID:	164274
PubChem CID:	74382682
Reduced:	SN3F4O4H19C25 (1)
Stoich.:	AB3C4D4E19F25 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-212.18
Dipole, Da:	4.32
IP(EA), eV:	-8.96(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]diazinan-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)C=CC2=C(N=C(C=C2)C(F)(F)F)OC3=CC=CC=C3)C#C

DOS

IR

Vibrations