Geometry & MOs

Info

ID:	136398
PubChem CID:	52032980
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	520.304956
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	3.43
IP(EA), eV:	-8.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-diethoxyphenyl)ethyl]-3-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoquinoxalin-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C2=NC3=CC=CC=C3N(C2=O)CCC(=O)NC4=CC=C(C=C4)C)C

DOS

IR

Vibrations