Geometry & MOs

Info

ID:	395430
PubChem CID:	135025443
Reduced:	ClON3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	426.334934
ΔH_f, kcal/mol:	118.5
Dipole, Da:	1.22
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=[N+](N(N=C3)C4=CC(=CC=C4)Cl)[O-]

DOS

IR

Vibrations