Geometry & MOs

Info

ID:	397426
PubChem CID:	135030202
Reduced:	SiO2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	404.159642
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	3.57
IP(EA), eV:	-9.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]methanone

Drug info:

PubChemData

Smile

COC12CCC(C=C1)C(=C2C(=O)C3=CC=CC=C3)C#C[Si](C)(C)C

DOS

IR

Vibrations