Geometry & MOs

Info

ID:	401834
PubChem CID:	135052861
Reduced:	SiO4C23H34 (1)
Stoich.:	AB4C23D34 (1)
Weight, g/mol:	277.073893
ΔH_f, kcal/mol:	-153.7
Dipole, Da:	4.21
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-4-oxochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCOCOC[C@@H]1C[C@]1(C)C#CC(=O)C2=CC=CC=C2O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations