Geometry & MOs

Info

ID:	125581
PubChem CID:	50928809
Reduced:	ClN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=CN(C(=O)C2=O)CC(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations