Geometry & MOs

Info

ID:	131982
PubChem CID:	51285898
Reduced:	FN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	321.14887
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	4.79
IP(EA), eV:	-8.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(N=C3C=C(C=CC3=C2)F)C

DOS

IR

Vibrations