Geometry & MOs

Info

ID:	136062
PubChem CID:	51973555
Reduced:	OF3N3H12C18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	418.153359
ΔH_f, kcal/mol:	-95.33
Dipole, Da:	3.38
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[6-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(NC1=O)N(C=N2)C3=CC(=CC=C3)F)C4=C(C=CC=C4F)F

DOS

IR

Vibrations