Geometry & MOs

Info

ID:	25964
PubChem CID:	634975
Reduced:	O3C29H48 (1)
Stoich.:	A3B29C48 (1)
Weight, g/mol:	472.086919
ΔH_f, kcal/mol:	-223.02
Dipole, Da:	2.27
IP(EA), eV:	-9.57(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate

Drug info:

PubChemData

Smile

CCCCCCC(C)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations