Geometry & MOs

Info

ID:	148575
PubChem CID:	53788243
Reduced:	SiC36H52 (1)
Stoich.:	AB36C52 (1)
Weight, g/mol:	485.328037
ΔH_f, kcal/mol:	-14.16
Dipole, Da:	2.48
IP(EA), eV:	-8.09(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-(4-azidobut-2-ynyl)-6-(3,4-dimethylphenyl)-3-(5-ethyl-2,4-dimethylphenyl)-7,9-dimethyl-1-oxa-7-azoniaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CC1C(=C(C(=C)C1=C)[Si](C2CCC3C2CCCC3)(C4CCC5C4CCCC5)C6C(=C(C(=C)C6=C)C)C)C

DOS

IR

Vibrations