Geometry & MOs

Info

ID:	406049
PubChem CID:	135076341
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	232.128342
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	3.39
IP(EA), eV:	-9.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl(dimethyl)silyl]-1-(3-methylphenyl)prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OC(C2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations