Geometry & MOs

Info

ID:	382535
PubChem CID:	134973757
Reduced:	NSiO2C24H42 (1)
Stoich.:	ABC2D24E42 (1)
Weight, g/mol:	403.290656
ΔH_f, kcal/mol:	-116.33
Dipole, Da:	11.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814148
Charge, e:	0

Chem-info

IUPAC name:

[(E)-11-[tert-butyl(dimethyl)silyl]undec-9-enyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)C/C=C/CCCCCCCCOC(=O)C1=CC=C(C=C1)[NH3+]

DOS

IR

Vibrations