Geometry & MOs

Info

ID:	157128
PubChem CID:	56422167
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	411.181251
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	4.12
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butoxy-3-chloro-5-ethoxyphenyl)-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations