Geometry & MOs

Info

ID:	44788
PubChem CID:	10505956
Reduced:	N3O6C28H39 (1)
Stoich.:	A3B6C28D39 (1)
Weight, g/mol:	513.262757
ΔH_f, kcal/mol:	-256.45
Dipole, Da:	1.91
IP(EA), eV:	-7.93(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4R,5R,6R)-6-benzyl-5-(2-methoxyethoxymethoxy)-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CN(C[C@@H]1C[C@H]2[C@H](CC3=CN(C4=CC=CC2=C34)C(C)C)N(C1)C)C(=O)OCC(=O)OCC

DOS

IR

Vibrations