Geometry & MOs

Info

ID:	218094
PubChem CID:	85088860
Reduced:	O5C10H14 (2)
Stoich.:	A5B10C14 (2)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-417.48
Dipole, Da:	3.3
IP(EA), eV:	-10.05(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-methyl-4-oxo-6-phenyl-3-(1-phenylethyl)-1,3-diazinane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(C(C1OC(=O)C)OCC=C)OC(=O)C)OC(=O)C)OCC=C

DOS

IR

Vibrations