Geometry & MOs

Info

ID:	382274
PubChem CID:	134973328
Reduced:	NSSiO6C19H32 (1)
Stoich.:	ABCD6E19F32 (1)
Weight, g/mol:	130.129572
ΔH_f, kcal/mol:	-247.45
Dipole, Da:	6.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759883
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetradeuteriooct-1-en-3-one

Drug info:

PubChemData

Smile

CC[C@](COS(=O)(=O)C)(/C(=N/OCC1=CC=CC=C1)/[O-])O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations