Geometry & MOs

Info

ID:	381885
PubChem CID:	134972745
Reduced:	ClON2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	390.190729
ΔH_f, kcal/mol:	48.77
Dipole, Da:	6.58
IP(EA), eV:	-9.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-5-[methyl(trimethylsilyl)amino]-4-trimethylsilyloxypyrimidin-2-one

Drug info:

PubChemData

Smile

C[C@]1([C@@H](C[C@H]2C(=C(C2(C)C)C3=CC=CC=C3N=C=O)[C@@H]1C#N)Cl)C=C

DOS

IR

Vibrations