Geometry & MOs

Info

ID:	221830
PubChem CID:	85286186
Reduced:	SiN2O4C38H53 (1)
Stoich.:	AB2C4D38E53 (1)
Weight, g/mol:	628.391173
ΔH_f, kcal/mol:	-138.75
Dipole, Da:	2.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783900
Charge, e:	0

Chem-info

IUPAC name:

[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(9H-pyrido[3,4-b]indol-1-yl)pentan-3-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CCCCCC(=C(CC(C=CC=CCC=CCCCC(=O)OCC)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)O)[N+]#N

DOS

IR

Vibrations