Geometry & MOs

Info

ID:	123419
PubChem CID:	50846564
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	426.17102
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	6.21
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)CC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations