Geometry & MOs

Info

ID:	397341
PubChem CID:	135030073
Reduced:	NOSC7H11 (1)
Stoich.:	ABCD7E11 (1)
Weight, g/mol:	294.143992
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	3.32
IP(EA), eV:	-9.14(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(2-trimethylsilylethynyl)cyclohexa-1,4-dien-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CCN2[C@H](C1)SCC2=O

DOS

IR

Vibrations