Geometry & MOs

Info

ID:	126427
PubChem CID:	50964613
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	340.15537
ΔH_f, kcal/mol:	-73.44
Dipole, Da:	5.26
IP(EA), eV:	-8.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-N-(2-methoxybutyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H]2[C@@H]3CN(C[C@@H]3[C@@H](N2)CO)C)Cl

DOS

IR

Vibrations