Geometry & MOs

Info

ID:	149237
PubChem CID:	53788909
Reduced:	N4O4C29H30 (1)
Stoich.:	A4B4C29D30 (1)
Weight, g/mol:	338.264107
ΔH_f, kcal/mol:	-65.16
Dipole, Da:	9.73
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(CN(CC(C3)C(=O)C(=O)O)CCC4=CC=CC=C4)C=C2

DOS

IR

Vibrations