Geometry & MOs

Info

ID:	141406
PubChem CID:	52874133
Reduced:	ClN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	416.150285
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774197
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chlorophenoxy)phenyl]-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC[NH+]([C@H](C1)C2OCCO2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4Cl

DOS

IR

Vibrations