Geometry & MOs

Info

ID:	189266
PubChem CID:	77836108
Reduced:	NO5C30H54 (1)
Stoich.:	AB5C30D54 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-265.03
Dipole, Da:	2.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.958474
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-phenyl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(COC)COC(=O)OCC[N+]1=CC=CC=C1

DOS

IR

Vibrations