Geometry & MOs

Info

ID:	138907
PubChem CID:	52441474
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	395.161184
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	8.25
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC=C1OCC)/C=C(/C#N)\C(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations