Geometry & MOs

Info

ID:	386921
PubChem CID:	134983375
Reduced:	OSi2C24H38 (1)
Stoich.:	AB2C24D38 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	1.92
IP(EA), eV:	-8.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-butyl-3-oxo-1,2,5,7-tetrahydroisoquinoline-6,6-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](CO[Si](C)(C)C(C)(C)C)/C=C(\C=C\C#C[Si](C)(C)C)/C1=CC=CC=C1

DOS

IR

Vibrations