Geometry & MOs

Info

ID:	393980
PubChem CID:	135022083
Reduced:	SiO3C22H42 (1)
Stoich.:	AB3C22D42 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-214.92
Dipole, Da:	2.8
IP(EA), eV:	-8.86(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6,7-dimethoxy-4-[(4-methylphenyl)methylidene]-1H-isochromene

Drug info:

PubChemData

Smile

C[C@H](CCC(C(C)(C)O)O)C/C=C/C=C\C=C\CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations