Geometry & MOs

Info

ID:	122634
PubChem CID:	50815563
Reduced:	N3O3H27C28 (1)
Stoich.:	A3B3C27D28 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	3.84
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C(=O)C1=O)CC3=CC=C(C=C3)C(=O)NC4CCCC5=CC=CC=C45

DOS

IR

Vibrations