Geometry & MOs

Info

ID:	176524
PubChem CID:	76062130
Reduced:	BrNO5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	507.236936
ΔH_f, kcal/mol:	-118.09
Dipole, Da:	4.46
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-1-yl]-3-phenylmethoxyoxolan-2-yl]methoxy]propanenitrile

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)Br

DOS

IR

Vibrations