Geometry & MOs

Info

ID:	176787
PubChem CID:	76099666
Reduced:	O2C25H28 (1)
Stoich.:	A2B25C28 (1)
Weight, g/mol:	306.085186
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	5.47
IP(EA), eV:	-9.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-3-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations