Geometry & MOs

Info

ID:	217104
PubChem CID:	85087263
Reduced:	ON2S2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	332.180771
ΔH_f, kcal/mol:	8.37
Dipole, Da:	2.34
IP(EA), eV:	-9.03(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hexa-3,5-dienyl-4-oxo-1-(2-trimethylsilylethynyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)NC(=O)C(C3=CC=CS3)C4=CC=CS4

DOS

IR

Vibrations