Geometry & MOs

Info

ID:	67825
PubChem CID:	46507250
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	-14.36
Dipole, Da:	4.69
IP(EA), eV:	-8.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations