Geometry & MOs

Info

ID:	384642
PubChem CID:	134977388
Reduced:	C3H5 (4)
Stoich.:	A3B5 (4)
Weight, g/mol:	492.196815
ΔH_f, kcal/mol:	4.08
Dipole, Da:	0.82
IP(EA), eV:	-8.85(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4Z,8R,11R,12S)-8-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-13,15-dioxatricyclo[7.6.1.01,12]hexadeca-4,9-dien-2,6-diyn-14-one

Drug info:

PubChemData

Smile

CCCC#C/C=C(\CC)/CCC

DOS

IR

Vibrations