Geometry & MOs

Info

ID:	398817
PubChem CID:	135035580
Reduced:	NPdO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	249.15175
ΔH_f, kcal/mol:	71.03
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107265
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S)-2-benzylcyclopropyl]-2,3-dihydroindole

Drug info:

PubChemData

Smile

CC(C)(C)OO.CN1C=[C-]C2=CC=CC=C21.[Pd]

DOS

IR

Vibrations