Geometry & MOs

Info

ID:	125588
PubChem CID:	50928816
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	425.158685
ΔH_f, kcal/mol:	-123.97
Dipole, Da:	8.15
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations