Geometry & MOs

Info

ID:	425629
PubChem CID:	135127032
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	543.280532
ΔH_f, kcal/mol:	-189.48
Dipole, Da:	4.16
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)COC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)OC(C)(C)C

DOS

IR

Vibrations