Geometry & MOs

Info

ID:	227657
PubChem CID:	87562174
Reduced:	ClOSiN5C20H28 (1)
Stoich.:	ABCD5E20F28 (1)
Weight, g/mol:	170.02652
ΔH_f, kcal/mol:	-20.26
Dipole, Da:	4.79
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylpent-4-en-2-one;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)NC2=CC=C(C=C2)[Si](C)(C)C)C3=NN=C(C(=C3)C)Cl

DOS

IR

Vibrations