Geometry & MOs

Info

ID:	398295
PubChem CID:	135032680
Reduced:	Si2O4C31H50 (1)
Stoich.:	A2B4C31D50 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-219.66
Dipole, Da:	2.56
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-7-methyl-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCC(=O)C#CC[C@@H](C#CCCOCC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations