Geometry & MOs

Info

ID:	125585
PubChem CID:	50928813
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	399.098584
ΔH_f, kcal/mol:	-122.74
Dipole, Da:	8.97
IP(EA), eV:	-8.68(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CN2C=CN(C(=O)C2=O)C3=CC=CC=C3OC

DOS

IR

Vibrations