Geometry & MOs

Info

ID:	405905
PubChem CID:	135075904
Reduced:	O2N3H17C21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	426.150792
ΔH_f, kcal/mol:	45.15
Dipole, Da:	9.4
IP(EA), eV:	-8.94(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]but-1-en-2-yl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=C(C#N)C#N)C(=O)N2CC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations