Geometry & MOs

Info

ID:	222336
PubChem CID:	85297003
Reduced:	N2O2H24C25 (1)
Stoich.:	A2B2C24D25 (1)
Weight, g/mol:	384.16043
ΔH_f, kcal/mol:	4.24
Dipole, Da:	1.78
IP(EA), eV:	-9.5(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,8,8-trimethoxy-7-oxo-3-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(C#N)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations