Geometry & MOs

Info

ID:	397424
PubChem CID:	135030200
Reduced:	NOSH23C25 (1)
Stoich.:	ABCD23E25 (1)
Weight, g/mol:	306.143992
ΔH_f, kcal/mol:	31.24
Dipole, Da:	2.7
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]octa-2,5-dienyl]methanone

Drug info:

PubChemData

Smile

C1CN2C(C1(CC3=CC=CC=C3)CC4=CC=CC=C4)SC5=CC=CC=C5C2=O

DOS

IR

Vibrations