Geometry & MOs

Info

ID:	380680
PubChem CID:	134971202
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	252.190942
ΔH_f, kcal/mol:	50.82
Dipole, Da:	9.13
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-ylidene]ethoxy-trimethylsilane

Drug info:

PubChemData

Smile

C1CC2=CC(=C(N=C2C1)SCC3=CC(=O)NN3)C#N

DOS

IR

Vibrations