Geometry & MOs

Info

ID:	125586
PubChem CID:	50928814
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	395.111735
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	4.21
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=CN(C(=O)C2=O)CC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations