Geometry & MOs

Info

ID:	382462
PubChem CID:	134973629
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	318.165121
ΔH_f, kcal/mol:	-62.76
Dipole, Da:	6.96
IP(EA), eV:	-9.53(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-1-methoxy-3-(2-methoxyethenyl)-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1C(CCC2=CC=CC=C2C#N)O)OC

DOS

IR

Vibrations