Geometry & MOs

Info

ID:	395852
PubChem CID:	135026720
Reduced:	NO3H9C11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	264.187801
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	5.19
IP(EA), eV:	-8.75(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

1-[2-[(4S)-4,5,6,7-tetrahydro-3H-inden-3-id-4-yl]ethyl]-4,5,6,7-tetrahydroinden-3a-ide

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=C(NC2=CC=CC=C21)C=CC3=CC=CC=C3[N+](=O)[O-])\C(=O)OC

DOS

IR

Vibrations