Geometry & MOs

Info

ID:	382879
PubChem CID:	134974285
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	382.196421
ΔH_f, kcal/mol:	-76.69
Dipole, Da:	5.24
IP(EA), eV:	-10.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydro-1H-inden-1-yl] benzoate

Drug info:

PubChemData

Smile

CCC/C=C(/C1=CC=CC=C1[N+](=O)[O-])\C(=O)OCC

DOS

IR

Vibrations