Geometry & MOs

Info

ID:	325575
PubChem CID:	126684036
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	505.351572
ΔH_f, kcal/mol:	-47.41
Dipole, Da:	2.24
IP(EA), eV:	-8.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hepta-1,5-dienyloxiran-2-yl)methyl]-3-(2-hydroxypropyl)-5-(4-methyl-4-propyloctyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=N/C=C\C=C)C1CC(=O)CC(=O)C1

DOS

IR

Vibrations