Geometry & MOs

Info

ID:	187523
PubChem CID:	77584180
Reduced:	O3C9H14 (3)
Stoich.:	A3B9C14 (3)
Weight, g/mol:	232.069536
ΔH_f, kcal/mol:	-454.19
Dipole, Da:	5.3
IP(EA), eV:	-9.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dioxo-1,3-diazinane-4-carboxylic acid;propanoic acid

Drug info:

PubChemData

Smile

CCC(=O)O.CCC(=O)O.CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

DOS

IR

Vibrations