Geometry & MOs

Info

ID:	142535
PubChem CID:	53051669
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	420.123167
ΔH_f, kcal/mol:	44.77
Dipole, Da:	6.17
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)N4CCCC5=CC=CC=C54)N=N2

DOS

IR

Vibrations