Geometry & MOs

Info

ID:	186022
PubChem CID:	77380923
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	486.280151
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	2.42
IP(EA), eV:	-8.63(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-ynyl]-6',8'-dimethylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octane]-3'-ol

Drug info:

PubChemData

Smile

CCCCCC(=O)C=CC(N)N1C=CC2=CC=CC=C21

DOS

IR

Vibrations