Geometry & MOs

Info

ID:	382342
PubChem CID:	134973428
Reduced:	SiO9C27H44 (1)
Stoich.:	AB9C27D44 (1)
Weight, g/mol:	374.151809
ΔH_f, kcal/mol:	-441.27
Dipole, Da:	4.59
IP(EA), eV:	-8.54(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-diphenylprop-2-ynyl)-3,4,5-trimethoxyphenol

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@@H](O1)C2[C@@H]([C@H](C[C@](O2)(C(=O)OC)OC)OCC3=CC=CC=C3)O)CO[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations