Geometry & MOs

Info

ID:	57578
PubChem CID:	22425532
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	3.32
IP(EA), eV:	-9.2(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-phenylethyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=NC=C3CO)C)OC2=N

DOS

IR

Vibrations