Geometry & MOs

Info

ID:	125750
PubChem CID:	50936848
Reduced:	NSSiO2C21H23 (1)
Stoich.:	ABCD2E21F23 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	24.78
Dipole, Da:	5.88
IP(EA), eV:	-8.58(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(1-hydroxyhexyl)cyclohepta-1,3,5-triene-1-carboxylate

Drug info:

PubChemData

Smile

CC#CN(C1=CC=CC=C1C#C[Si](C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations