Geometry & MOs

Info

ID:	157152
PubChem CID:	56422196
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-81.41
Dipole, Da:	5.03
IP(EA), eV:	-7.8(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)CC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations